PrC44H23(NO2)4(CH)4 crystallizes in the triclinic P-1 space group. The structure consists of eight 02329_fluka molecules inside a PrC44H23(NO2)4 framework. In the PrC44H23(NO2)4 framework, Pr(1) is bonded in a distorted hexagonal planar geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The Pr(1)-O(2) bond length is 2.39 Å. The Pr(1)-O(3) bond length is 2.44 Å. The Pr(1)-O(4) bond length is 2.40 Å. The Pr(1)-O(5) bond length is 2.36 Å. The Pr(1)-O(7) bond length is 2.50 Å. The Pr(1)-O(8) bond length is 2.60 Å. There are forty-four inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(20), and one N(1) atom. The C(1)-C(2) bond length is 1.45 Å. The C(1)-C(20) bond length is 1.41 Å. The C(1)-N(1) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(1) atom. The C(2)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one H(2) atom. The C(3)-C(4) bond length is 1.47 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(1) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-N(1) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(21), one C(4), and one C(6) atom. The C(5)-C(21) bond length is 1.50 Å. The C(5)-C(6) bond length is 1.41 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(2) atom. The C(6)-C(7) bond length is 1.43 Å. The C(6)-N(2) bond length is 1.37 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(3) atom. The C(7)-H(3) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(4) atom. The C(8)-C(9) bond length is 1.43 Å. The C(8)-H(4) bond length is 0.95 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(2) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-N(2) bond length is 1.37 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(28), and one C(9) atom. The C(10)-C(11) bond length is 1.41 Å. The C(10)-C(28) bond length is 1.49 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(12), and one N(3) atom. The C(11)-C(12) bond length is 1.44 Å. The C(11)-N(3) bond length is 1.37 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(5) atom. The C(12)-H(5) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(14) and one H(6) atom. The C(13)-C(14) bond length is 1.44 Å. The C(13)-H(6) bond length is 0.95 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one N(3) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-N(3) bond length is 1.37 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(35) atom. The C(15)-C(16) bond length is 1.41 Å. The C(15)-C(35) bond length is 1.49 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one N(4) atom. The C(16)-C(17) bond length is 1.44 Å. The C(16)-N(4) bond length is 1.37 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16) and one H(7) atom. The C(17)-H(7) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(19) and one H(8) atom. The C(18)-C(19) bond length is 1.43 Å. The C(18)-H(8) bond length is 0.95 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one N(4) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-N(4) bond length is 1.36 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(1), one C(19), and one C(42) atom. The C(20)-C(42) bond length is 1.49 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(22), one C(26), and one C(5) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(26) bond length is 1.39 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one H(11) atom. The C(22)-H(11) bond length is 0.95 Å. In the twenty-third C site, C(24) is bonded in a distorted single-bond geometry to one C(25) and one H(13) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-H(13) bond length is 0.95 Å. In the twenty-fourth C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(27) atom. The C(25)-C(26) bond length is 1.40 Å. The C(25)-C(27) bond length is 1.50 Å. In the twenty-fifth C site, C(26) is bonded in a distorted single-bond geometry to one C(21), one C(25), and one H(14) atom. The C(26)-H(14) bond length is 0.95 Å. In the twenty-sixth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(1), and one O(2) atom. The C(27)-O(1) bond length is 1.28 Å. The C(27)-O(2) bond length is 1.24 Å. In the twenty-seventh C site, C(28) is bonded in a trigonal planar geometry to one C(10), one C(29), and one C(33) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-C(33) bond length is 1.40 Å. In the twenty-eighth C site, C(29) is bonded in a distorted single-bond geometry to one C(28) and one H(16) atom. The C(29)-H(16) bond length is 0.95 Å. In the twenty-ninth C site, C(31) is bonded in a distorted single-bond geometry to one C(32) and one H(18) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-H(18) bond length is 0.95 Å. In the thirtieth C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(34) atom. The C(32)-C(33) bond length is 1.39 Å. The C(32)-C(34) bond length is 1.50 Å. In the thirty-first C site, C(33) is bonded in a distorted single-bond geometry to one C(28), one C(32), and one H(19) atom. The C(33)-H(19) bond length is 0.95 Å. In the thirty-second C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(3), and one O(4) atom. The C(34)-O(3) bond length is 1.26 Å. The C(34)-O(4) bond length is 1.26 Å. In the thirty-third C site, C(35) is bonded in a trigonal planar geometry to one C(15), one C(36), and one C(40) atom. The C(35)-C(36) bond length is 1.40 Å. The C(35)-C(40) bond length is 1.40 Å. In the thirty-fourth C site, C(36) is bonded in a distorted single-bond geometry to one C(35) and one H(20) atom. The C(36)-H(20) bond length is 0.95 Å. In the thirty-fifth C site, C(38) is bonded in a distorted single-bond geometry to one C(39) and one H(22) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-H(22) bond length is 0.95 Å. In the thirty-sixth C site, C(39) is bonded in a trigonal planar geometry to one C(38), one C(40), and one C(41) atom. The C(39)-C(40) bond length is 1.40 Å. The C(39)-C(41) bond length is 1.51 Å. In the thirty-seventh C site, C(40) is bonded in a distorted single-bond geometry to one C(35), one C(39), and one H(23) atom. The C(40)-H(23) bond length is 0.95 Å. In the thirty-eighth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(39), one O(5), and one O(6) atom. The C(41)-O(5) bond length is 1.26 Å. The C(41)-O(6) bond length is 1.25 Å. In the thirty-ninth C site, C(42) is bonded in a trigonal planar geometry to one C(20), one C(43), and one C(47) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-C(47) bond length is 1.41 Å. In the fortieth C site, C(43) is bonded in a distorted single-bond geometry to one C(42) and one H(24) atom. The C(43)-H(24) bond length is 0.95 Å. In the forty-first C site, C(45) is bonded in a distorted single-bond geometry to one C(46) and one H(26) atom. The C(45)-C(46) bond length is 1.39 Å. The C(45)-H(26) bond length is 0.95 Å. In the forty-second C site, C(46) is bonded in a trigonal planar geometry to one C(45), one C(47), and one C(48) atom. The C(46)-C(47) bond length is 1.40 Å. The C(46)-C(48) bond length is 1.49 Å. In the forty-third C site, C(47) is bonded in a distorted single-bond geometry to one C(42), one C(46), and one H(27) atom. The C(47)-H(27) bond length is 0.95 Å. In the forty-fourth C site, C(48) is bonded in a bent 120 degrees geometry to one C(46), one O(7), and one O(8) atom. The C(48)-O(7) bond length is 1.27 Å. The C(48)-O(8) bond length is 1.27 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to one C(1) and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(6), one C(9), and one H(9) atom. The N(2)-H(9) bond length is 0.88 Å. In the third N site, N(3) is bonded in a water-like geometry to one C(11) and one C(14) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(16), one C(19), and one H(10) atom. The N(4)-H(10) bond length is 0.88 Å. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one N(2) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one N(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(22) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one C(24) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one C(26) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one O(1) atom. The H(15)-O(1) bond length is 0.84 Å. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(29) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(31) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(33) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(36) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(38) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one C(40) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one C(43) atom. In the twenty-second H site, H(26) is bonded in a single-bond geometry to one C(45) atom. In the twenty-third H site, H(27) is bonded in a single-bond geometry to one C(47) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(27) and one H(15) atom. In the second O site, O(2) is bonded in a linear geometry to one Pr(1) and one C(27) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Pr(1) and one C(34) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one C(34) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Pr(1) and one C(41) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(41) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Pr(1) and one C(48) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Pr(1) and one C(48) atom. Linkers: 1 [O]C(=O)c1cccc(-c2c3nc(c(-c4cccc(C([O])=O)c4)c4ccc([nH]4)c(-c4cccc(C([O])=O)c4)c4nc(c(-c5cccc([C]=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1 ,1 [O]C(=O)c1cccc(-c2c3nc(c(-c4cccc(C(=O)O)c4)c4ccc([nH]4)c(-c4cccc(C([O])=O)c4)c4nc(c(-c5cccc([C]=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1. Metal clusters: 1 O=[C]O[Pr]12(O[C]O)(O[C]O1)O[C]O[Pr]1(O[C]O)(O[C]=O)(O[C]O1)O[C]O2. RCSR code: flu. The MOF has largest included sphere 5.22 A, density 1.34 g/cm3, surface area 4334.78 m2/g, accessible volume 0.31 cm3/g