CsNiC3(NS)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one C(1), one C(2), one C(3), one N(1), one N(2), one N(3), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted octahedral geometry to two equivalent N(3), two equivalent S(1), and two equivalent S(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent S(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Cs(1), one N(3), and one S(3) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Cs(1), one N(1), and one S(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Cs(1), one N(2), and one S(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(2) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Ni(1), and one C(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(1), and one C(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(2), and one C(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to three equivalent Cs(1), one Ni(1), and one C(1) atom.
CsNiC3(NS)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one C(1), one C(2), one C(3), one N(1), one N(2), one N(3), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. The Cs(1)-C(1) bond length is 3.47 Å. The Cs(1)-C(2) bond length is 3.78 Å. The Cs(1)-C(3) bond length is 3.69 Å. The Cs(1)-N(1) bond length is 3.41 Å. The Cs(1)-N(2) bond length is 3.23 Å. The Cs(1)-N(3) bond length is 3.51 Å. There is one shorter (3.57 Å) and one longer (3.63 Å) Cs(1)-S(1) bond length. There is one shorter (3.59 Å) and one longer (3.65 Å) Cs(1)-S(2) bond length. There are a spread of Cs(1)-S(3) bond distances ranging from 3.84-4.15 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted octahedral geometry to two equivalent N(3), two equivalent S(1), and two equivalent S(3) atoms. Both Ni(1)-N(3) bond lengths are 1.97 Å. Both Ni(1)-S(1) bond lengths are 2.48 Å. Both Ni(1)-S(3) bond lengths are 2.54 Å. In the second Ni site, Ni(2) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent S(2) atoms. Both Ni(2)-N(1) bond lengths are 2.03 Å. Both Ni(2)-N(2) bond lengths are 2.02 Å. Both Ni(2)-S(2) bond lengths are 2.53 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Cs(1), one N(3), and one S(3) atom. The C(1)-N(3) bond length is 1.19 Å. The C(1)-S(3) bond length is 1.63 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Cs(1), one N(1), and one S(1) atom. The C(2)-N(1) bond length is 1.18 Å. The C(2)-S(1) bond length is 1.64 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Cs(1), one N(2), and one S(2) atom. The C(3)-N(2) bond length is 1.18 Å. The C(3)-S(2) bond length is 1.63 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(2) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Ni(1), and one C(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(1), and one C(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(2), and one C(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to three equivalent Cs(1), one Ni(1), and one C(1) atom.