Zn2C28N8Cl5 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(13), one N(2), and one N(4) atom. The Zn(1)-N(1) bond length is 2.00 Å. The Zn(1)-N(13) bond length is 2.00 Å. The Zn(1)-N(2) bond length is 1.99 Å. The Zn(1)-N(4) bond length is 1.95 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(10), one N(12), one N(5), and one N(8) atom. The Zn(2)-N(10) bond length is 1.89 Å. The Zn(2)-N(12) bond length is 1.90 Å. The Zn(2)-N(5) bond length is 2.04 Å. The Zn(2)-N(8) bond length is 2.03 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(3), one N(6), one N(7), and one N(9) atom. The Zn(3)-N(3) bond length is 2.03 Å. The Zn(3)-N(6) bond length is 2.01 Å. The Zn(3)-N(7) bond length is 1.95 Å. The Zn(3)-N(9) bond length is 1.96 Å. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one N(11), one N(14), one N(15), and one N(16) atom. The Zn(4)-N(11) bond length is 1.84 Å. The Zn(4)-N(14) bond length is 2.00 Å. The Zn(4)-N(15) bond length is 1.88 Å. The Zn(4)-N(16) bond length is 1.95 Å. There are sixty inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2) and one N(1) atom. The C(1)-C(2) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.40 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(3) atom. The C(2)-C(3) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) atom. In the fourth C site, C(4) is bonded in a water-like geometry to one N(2) and one N(3) atom. The C(4)-N(2) bond length is 1.34 Å. The C(4)-N(3) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one N(2) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-N(2) bond length is 1.20 Å. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one C(5) and one C(7) atom. The C(6)-C(7) bond length is 1.39 Å. In the seventh C site, C(7) is bonded in a bent 120 degrees geometry to one C(6) and one C(8) atom. The C(7)-C(8) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one Cl(1) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-Cl(1) bond length is 1.97 Å. In the ninth C site, C(9) is bonded in a bent 120 degrees geometry to one C(10) and one C(8) atom. The C(9)-C(10) bond length is 1.39 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one N(3) atom. The C(10)-N(3) bond length is 1.29 Å. In the eleventh C site, C(11) is bonded in a water-like geometry to one N(4) and one N(5) atom. The C(11)-N(4) bond length is 1.42 Å. The C(11)-N(5) bond length is 1.35 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one N(5) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-N(5) bond length is 1.34 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(12) and one C(14) atom. The C(13)-C(14) bond length is 1.39 Å. In the fourteenth C site, C(14) is bonded in a 3-coordinate geometry to one C(13), one C(15), and one Cl(2) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-Cl(2) bond length is 1.81 Å. In the fifteenth C site, C(15) is bonded in a bent 120 degrees geometry to one C(14) and one C(16) atom. The C(15)-C(16) bond length is 1.39 Å. In the sixteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(15) and one C(17) atom. The C(16)-C(17) bond length is 1.39 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one N(4) atom. The C(17)-N(4) bond length is 1.30 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(18), one C(19), and one N(6) atom. The C(18)-C(18) bond length is 1.25 Å. The C(18)-C(19) bond length is 1.42 Å. The C(18)-N(6) bond length is 1.45 Å. In the nineteenth C site, C(19) is bonded in a water-like geometry to one C(18) and one C(20) atom. The C(19)-C(20) bond length is 1.35 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(20), and one Cl(3) atom. The C(20)-C(20) bond length is 1.24 Å. The C(20)-Cl(3) bond length is 1.75 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(22) and one N(7) atom. The C(21)-C(22) bond length is 1.53 Å. The C(21)-N(7) bond length is 1.38 Å. In the twenty-second C site, C(22) is bonded in a water-like geometry to one C(21) and one C(23) atom. The C(22)-C(23) bond length is 1.41 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(22), one C(23), and one Cl(4) atom. The C(23)-C(23) bond length is 1.29 Å. The C(23)-Cl(4) bond length is 1.78 Å. In the twenty-fourth C site, C(24) is bonded in a bent 120 degrees geometry to one N(8) and one N(9) atom. The C(24)-N(8) bond length is 1.40 Å. The C(24)-N(9) bond length is 1.33 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(26), one C(30), and one N(9) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-C(30) bond length is 1.39 Å. The C(25)-N(9) bond length is 1.35 Å. In the twenty-sixth C site, C(26) is bonded in a bent 120 degrees geometry to one C(25) and one C(27) atom. The C(26)-C(27) bond length is 1.39 Å. In the twenty-seventh C site, C(27) is bonded in a bent 120 degrees geometry to one C(26) and one C(28) atom. The C(27)-C(28) bond length is 1.39 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one C(27), one C(29), and one Cl(5) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-Cl(5) bond length is 1.77 Å. In the twenty-ninth C site, C(29) is bonded in a bent 120 degrees geometry to one C(28) and one C(30) atom. The C(29)-C(30) bond length is 1.39 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(25), one C(29), and one N(8) atom. The C(30)-N(8) bond length is 1.35 Å. In the thirty-first C site, C(31) is bonded in a 1-coordinate geometry to one C(32) and one N(10) atom. The C(31)-C(32) bond length is 1.28 Å. The C(31)-N(10) bond length is 1.47 Å. In the thirty-second C site, C(32) is bonded in a water-like geometry to one C(31) and one C(33) atom. The C(32)-C(33) bond length is 1.31 Å. In the thirty-third C site, C(33) is bonded in a 3-coordinate geometry to one C(32), one C(33), and one Cl(6) atom. The C(33)-C(33) bond length is 1.43 Å. The C(33)-Cl(6) bond length is 1.84 Å. In the thirty-fourth C site, C(34) is bonded in a bent 120 degrees geometry to one N(11) and one N(12) atom. The C(34)-N(11) bond length is 1.39 Å. The C(34)-N(12) bond length is 1.41 Å. In the thirty-fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(36), one C(40), and one N(12) atom. The C(35)-C(36) bond length is 1.39 Å. The C(35)-C(40) bond length is 1.39 Å. The C(35)-N(12) bond length is 1.33 Å. In the thirty-sixth C site, C(36) is bonded in a bent 120 degrees geometry to one C(35) and one C(37) atom. The C(36)-C(37) bond length is 1.39 Å. In the thirty-seventh C site, C(37) is bonded in a bent 120 degrees geometry to one C(36) and one C(38) atom. The C(37)-C(38) bond length is 1.39 Å. In the thirty-eighth C site, C(38) is bonded in a trigonal planar geometry to one C(37), one C(39), and one Cl(7) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-Cl(7) bond length is 1.94 Å. In the thirty-ninth C site, C(39) is bonded in a bent 120 degrees geometry to one C(38) and one C(40) atom. The C(39)-C(40) bond length is 1.39 Å. In the fortieth C site, C(40) is bonded in a distorted single-bond geometry to one C(35), one C(39), and one N(11) atom. The C(40)-N(11) bond length is 1.31 Å. In the forty-first C site, C(41) is bonded in a distorted single-bond geometry to one C(42) and one N(13) atom. The C(41)-C(42) bond length is 1.55 Å. The C(41)-N(13) bond length is 1.36 Å. In the forty-second C site, C(42) is bonded in a water-like geometry to one C(41) and one C(43) atom. The C(42)-C(43) bond length is 1.33 Å. In the forty-third C site, C(43) is bonded in a distorted trigonal planar geometry to one C(42), one C(43), and one Cl(8) atom. The C(43)-C(43) bond length is 1.36 Å. The C(43)-Cl(8) bond length is 1.81 Å. In the forty-fourth C site, C(44) is bonded in a distorted trigonal planar geometry to one C(44), one C(45), and one N(14) atom. The C(44)-C(44) bond length is 1.18 Å. The C(44)-C(45) bond length is 1.40 Å. The C(44)-N(14) bond length is 1.39 Å. In the forty-fifth C site, C(45) is bonded in a bent 120 degrees geometry to one C(44) and one C(46) atom. The C(45)-C(46) bond length is 1.37 Å. In the forty-sixth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(45), one C(46), and one Cl(9) atom. The C(46)-C(46) bond length is 1.52 Å. The C(46)-Cl(9) bond length is 1.84 Å. In the forty-seventh C site, C(47) is bonded in a distorted single-bond geometry to one C(48) and one N(16) atom. The C(47)-C(48) bond length is 1.46 Å. The C(47)-N(16) bond length is 1.42 Å. In the forty-eighth C site, C(48) is bonded in a bent 120 degrees geometry to one C(47) and one C(49) atom. The C(48)-C(49) bond length is 1.29 Å. In the forty-ninth C site, C(49) is bonded in a distorted trigonal planar geometry to one C(48), one C(49), and one Cl(10) atom. The C(49)-C(49) bond length is 1.40 Å. The C(49)-Cl(10) bond length is 1.90 Å. In the fiftieth C site, C(50) is bonded in a distorted trigonal planar geometry to one C(50), one C(51), and one N(15) atom. The C(50)-C(50) bond length is 1.34 Å. The C(50)-C(51) bond length is 1.40 Å. The C(50)-N(15) bond length is 1.52 Å. In the fifty-first C site, C(51) is bonded in a 3-coordinate geometry to one C(50), one C(51), and one C(52) atom. The C(51)-C(51) bond length is 1.74 Å. The C(51)-C(52) bond length is 1.40 Å. In the fifty-second C site, C(52) is bonded in a distorted single-bond geometry to one C(51) atom. In the fifty-third C site, C(53) is bonded in a bent 120 degrees geometry to two equivalent N(7) atoms. Both C(53)-N(7) bond lengths are 1.33 Å. In the fifty-fourth C site, C(54) is bonded in a water-like geometry to two equivalent N(13) atoms. Both C(54)-N(13) bond lengths are 1.32 Å. In the fifty-fifth C site, C(55) is bonded in a water-like geometry to two equivalent N(1) atoms. Both C(55)-N(1) bond lengths are 1.38 Å. In the fifty-sixth C site, C(56) is bonded in a bent 120 degrees geometry to two equivalent N(10) atoms. Both C(56)-N(10) bond lengths are 1.44 Å. In the fifty-seventh C site, C(57) is bonded in a bent 120 degrees geometry to two equivalent N(14) atoms. Both C(57)-N(14) bond lengths are 1.32 Å. In the fifty-eighth C site, C(58) is bonded in a water-like geometry to two equivalent N(6) atoms. Both C(58)-N(6) bond lengths are 1.32 Å. In the fifty-ninth C site, C(59) is bonded in a bent 120 degrees geometry to two equivalent N(16) atoms. Both C(59)-N(16) bond lengths are 1.34 Å. In the sixtieth C site, C(60) is bonded in a bent 120 degrees geometry to two equivalent N(15) atoms. Both C(60)-N(15) bond lengths are 1.30 Å. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(55) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(1), one C(4), and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(3), one C(10), and one C(4) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(11), and one C(17) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Zn(2), one C(11), and one C(12) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(3), one C(18), and one C(58) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Zn(3), one C(21), and one C(53) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Zn(2), one C(24), and one C(30) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(3), one C(24), and one C(25) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Zn(2), one C(31), and one C(56) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Zn(4), one C(34), and one C(40) atom. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(34), and one C(35) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one Zn(1), one C(41), and one C(54) atom. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Zn(4), one C(44), and one C(57) atom. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Zn(4), one C(50), and one C(60) atom. In the sixteenth N site, N(16) is bonded in a trigonal planar geometry to one Zn(4), one C(47), and one C(59) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(8) is bonded in a single-bond geometry to one C(43) atom. In the second Cl site, Cl(9) is bonded in a single-bond geometry to one C(46) atom. In the third Cl site, Cl(10) is bonded in a single-bond geometry to one C(49) atom. In the fourth Cl site, Cl(1) is bonded in a single-bond geometry to one C(8) atom. In the fifth Cl site, Cl(2) is bonded in a single-bond geometry to one C(14) atom. In the sixth Cl site, Cl(3) is bonded in a single-bond geometry to one C(20) atom. In the seventh Cl site, Cl(4) is bonded in a single-bond geometry to one C(23) atom. In the eighth Cl site, Cl(5) is bonded in a single-bond geometry to one C(28) atom. In the ninth Cl site, Cl(6) is bonded in a single-bond geometry to one C(33) atom. In the tenth Cl site, Cl(7) is bonded in a single-bond geometry to one C(38) atom. Linkers: 8 [C]1[N]C2=C([N]1)[C]1[C]3[C]4[C]5[C]3[C]1C1=C([N][C][N]1)[C]5[C]42 ,20 Clc1[c]c2c([c]c1Cl)N=[C][N]2 ,14 Clc1[c]c2c([c]c1Cl)=N[C]N=2 ,4 [C]1=Nc2[c][c][c][c]c2[N]1 ,3 [C]1[C]=[C]C2=N[C]=NC2=[C]1 ,29 ClC1=[C][C]2N=[C]N=C2[C]=C1Cl ,15 Cl[C]1[C]=C2N=[C]N=C2[C]=C1Cl ,1 [C]1[C]=[C][C]=C2N=[C]N=C12 ,18 ClC1=C(Cl)[C]=C2N=[C]N=C2[C]1 ,5 [C]1=[C][C]2N=[C]N=C2[C]=[C]1 ,7 Cl[C]1[C]=[C]C2=N[C]=NC2=[C]1 ,22 Clc1[c][c]c2c([c]1)=N[C]N=2 ,32 Clc1[c][c]c2c([c]1)[N][C][N]2 ,11 ClC1=[C][C]C2=N[C]=NC2=[C]1 ,30 ClC1=[C]C2=N[C]=N[C]2[C]=[C]1 ,5 Clc1[c][c]c2c([c]1)[N][C]=N2 ,4 Clc1[c][c]c2c([c]1)N=[C][N]2 ,13 ClC1=[C][C]2N=[C]N=C2[C]=[C]1 ,3 [C]1N=c2[c][c][c][c]c2=N1 ,4 ClC1=[C]C2=N[C]=NC2=[C][C]1. Metal clusters: 128 [Zn]. The MOF has largest included sphere 21.08 A, density 0.95 g/cm3, surface area 4122.62 m2/g, accessible volume 0.60 cm3/g