K3C6N7H6O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to one N(2), one N(6), one N(7), one H(1), one H(2), one H(3), one O(1), one O(2), one O(4), one O(5), and one O(6) atom. The K(1)-N(2) bond length is 3.18 Å. The K(1)-N(6) bond length is 3.20 Å. The K(1)-N(7) bond length is 2.83 Å. The K(1)-H(1) bond length is 2.88 Å. The K(1)-H(2) bond length is 2.84 Å. The K(1)-H(3) bond length is 2.75 Å. The K(1)-O(1) bond length is 2.77 Å. The K(1)-O(2) bond length is 2.75 Å. The K(1)-O(4) bond length is 2.84 Å. The K(1)-O(5) bond length is 2.82 Å. The K(1)-O(6) bond length is 2.82 Å. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent N(3), one H(6), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There is one shorter (2.84 Å) and one longer (3.09 Å) K(2)-N(3) bond length. The K(2)-H(6) bond length is 2.92 Å. The K(2)-O(6) bond length is 2.98 Å. There is one shorter (2.84 Å) and one longer (3.09 Å) K(2)-O(2) bond length. There is one shorter (2.86 Å) and one longer (3.22 Å) K(2)-O(3) bond length. There is one shorter (2.86 Å) and one longer (2.87 Å) K(2)-O(5) bond length. In the third K site, K(3) is bonded in a 8-coordinate geometry to one N(7), one H(5), one O(2), one O(3), two equivalent O(1), and two equivalent O(6) atoms. The K(3)-N(7) bond length is 3.01 Å. The K(3)-H(5) bond length is 2.91 Å. The K(3)-O(2) bond length is 2.83 Å. The K(3)-O(3) bond length is 2.90 Å. There is one shorter (2.71 Å) and one longer (2.81 Å) K(3)-O(1) bond length. Both K(3)-O(6) bond lengths are 3.02 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(7) atom. The C(1)-N(1) bond length is 1.41 Å. The C(1)-N(2) bond length is 1.33 Å. The C(1)-N(7) bond length is 1.33 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(2), one N(3), and one O(2) atom. The C(2)-N(2) bond length is 1.37 Å. The C(2)-N(3) bond length is 1.38 Å. The C(2)-O(2) bond length is 1.27 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(1), one N(3), and one N(4) atom. The C(3)-N(1) bond length is 1.40 Å. The C(3)-N(3) bond length is 1.33 Å. The C(3)-N(4) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(4), one N(5), and one O(3) atom. The C(4)-N(4) bond length is 1.37 Å. The C(4)-N(5) bond length is 1.37 Å. The C(4)-O(3) bond length is 1.27 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(1), one N(5), and one N(6) atom. The C(5)-N(1) bond length is 1.41 Å. The C(5)-N(5) bond length is 1.33 Å. The C(5)-N(6) bond length is 1.33 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(6), one N(7), and one O(1) atom. The C(6)-N(6) bond length is 1.38 Å. The C(6)-N(7) bond length is 1.37 Å. The C(6)-O(1) bond length is 1.26 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one K(1), one C(1), and one C(2) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(2), one C(2), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(4), and one H(5) atom. The N(4)-H(5) bond length is 1.75 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(4), one C(5), and one H(4) atom. The N(5)-H(4) bond length is 1.73 Å. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(5), and one C(6) atom. In the seventh N site, N(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one C(1), and one C(6) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one K(1) and one O(4) atom. The H(1)-O(4) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one K(1) and one O(4) atom. The H(2)-O(4) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one K(1) and one O(5) atom. The H(3)-O(5) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(5) and one O(5) atom. The H(4)-O(5) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one K(3), one N(4), and one O(6) atom. The H(5)-O(6) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one K(2) and one O(6) atom. The H(6)-O(6) bond length is 0.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(3), and one C(6) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one C(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one K(1), one H(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one K(1), two equivalent K(2), one H(3), and one H(4) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one K(1), one K(2), two equivalent K(3), one H(5), and one H(6) atom. Linkers: 2 O=C1[N]C2=NC(=O)[N]c3nc(=O)nc(n32)[N]1 ,2 O=C1[N]C2=NC(=O)[N]C3=NC(=O)[N]C(=N1)N32. Metal clusters: 12 [K]. The MOF has largest included sphere 1.35 A, density 2.07 g/cm3, surface area 1057.30 m2/g, accessible volume 0.02 cm3/g