CaC2H6O7 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(7) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ca(1), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(6) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ca(1), one H(2), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one C(2), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ca(1) and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one C(2), and one H(3) atom.
CaC2H6O7 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. The Ca(1)-O(1) bond length is 2.46 Å. The Ca(1)-O(2) bond length is 2.47 Å. The Ca(1)-O(3) bond length is 2.49 Å. The Ca(1)-O(4) bond length is 2.44 Å. The Ca(1)-O(6) bond length is 2.46 Å. The Ca(1)-O(7) bond length is 2.48 Å. There is one shorter (2.55 Å) and one longer (2.57 Å) Ca(1)-O(5) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(1)-O(5) bond length is 1.26 Å. The C(1)-O(6) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(7) atom. The C(2)-O(4) bond length is 1.27 Å. The C(2)-O(7) bond length is 1.26 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one O(7) atom. The H(3)-O(2) bond length is 1.00 Å. The H(3)-O(7) bond length is 1.69 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. The H(4)-O(1) bond length is 1.01 Å. The H(4)-O(4) bond length is 1.64 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. The H(5)-O(3) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) atom. The H(6)-O(2) bond length is 0.99 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ca(1), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(6) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ca(1), one H(2), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one C(2), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ca(1) and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one C(2), and one H(3) atom.