Ni7(Mo3P2)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(5), one Ni(3), two equivalent Ni(2), two equivalent Ni(4), one P(1), one P(2), and two equivalent P(3) atoms. In the second Mo site, Mo(2) is bonded in a 13-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one Mo(5), one Ni(3), one Ni(4), two equivalent Ni(1), one P(2), one P(3), and two equivalent P(1) atoms. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), two equivalent Ni(1), two equivalent Ni(2), one P(1), one P(2), and two equivalent P(3) atoms. In the fourth Mo site, Mo(4) is bonded in a 13-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), one Mo(5), one Ni(2), one Ni(3), one Ni(4), two equivalent Ni(1), one P(1), one P(3), and two equivalent P(2) atoms. In the fifth Mo site, Mo(5) is bonded in a distorted octahedral geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), one P(1), one P(2), and one P(3) atom. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Mo(4), two equivalent Mo(1), two equivalent Mo(3), one P(1), and one P(2) atom. In the third Ni site, Ni(3) is bonded in a distorted linear geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(4), and two equivalent P(1) atoms. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Mo(2), one Mo(4), two equivalent Mo(1), one P(2), and one P(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(5), two equivalent Mo(4), one Ni(1), one Ni(2), and one Ni(4) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(3), one Ni(1), and one Ni(4) atom.
Ni7(Mo3P2)3 crystallizes in the triclinic P-1 space group. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(5), one Ni(3), two equivalent Ni(2), two equivalent Ni(4), one P(1), one P(2), and two equivalent P(3) atoms. The Mo(1)-Mo(2) bond length is 2.90 Å. The Mo(1)-Mo(5) bond length is 2.89 Å. The Mo(1)-Ni(3) bond length is 2.70 Å. There is one shorter (2.60 Å) and one longer (2.71 Å) Mo(1)-Ni(2) bond length. There is one shorter (2.74 Å) and one longer (2.76 Å) Mo(1)-Ni(4) bond length. The Mo(1)-P(1) bond length is 2.57 Å. The Mo(1)-P(2) bond length is 2.51 Å. There is one shorter (2.50 Å) and one longer (2.58 Å) Mo(1)-P(3) bond length. In the second Mo site, Mo(2) is bonded in a 13-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one Mo(5), one Ni(3), one Ni(4), two equivalent Ni(1), one P(2), one P(3), and two equivalent P(1) atoms. The Mo(2)-Mo(2) bond length is 3.00 Å. The Mo(2)-Mo(3) bond length is 2.92 Å. The Mo(2)-Mo(4) bond length is 2.96 Å. The Mo(2)-Mo(5) bond length is 2.90 Å. The Mo(2)-Ni(3) bond length is 2.94 Å. The Mo(2)-Ni(4) bond length is 2.67 Å. There is one shorter (2.72 Å) and one longer (2.80 Å) Mo(2)-Ni(1) bond length. The Mo(2)-P(2) bond length is 2.58 Å. The Mo(2)-P(3) bond length is 2.44 Å. There is one shorter (2.56 Å) and one longer (2.58 Å) Mo(2)-P(1) bond length. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), two equivalent Ni(1), two equivalent Ni(2), one P(1), one P(2), and two equivalent P(3) atoms. The Mo(3)-Mo(4) bond length is 2.97 Å. The Mo(3)-Mo(5) bond length is 2.90 Å. There is one shorter (2.68 Å) and one longer (2.75 Å) Mo(3)-Ni(1) bond length. There is one shorter (2.61 Å) and one longer (2.72 Å) Mo(3)-Ni(2) bond length. The Mo(3)-P(1) bond length is 2.60 Å. The Mo(3)-P(2) bond length is 2.47 Å. There is one shorter (2.54 Å) and one longer (2.59 Å) Mo(3)-P(3) bond length. In the fourth Mo site, Mo(4) is bonded in a 13-coordinate geometry to one Mo(2), one Mo(3), one Mo(4), one Mo(5), one Ni(2), one Ni(3), one Ni(4), two equivalent Ni(1), one P(1), one P(3), and two equivalent P(2) atoms. The Mo(4)-Mo(4) bond length is 2.83 Å. The Mo(4)-Mo(5) bond length is 2.83 Å. The Mo(4)-Ni(2) bond length is 2.99 Å. The Mo(4)-Ni(3) bond length is 2.69 Å. The Mo(4)-Ni(4) bond length is 2.71 Å. There is one shorter (2.69 Å) and one longer (2.77 Å) Mo(4)-Ni(1) bond length. The Mo(4)-P(1) bond length is 2.46 Å. The Mo(4)-P(3) bond length is 2.57 Å. There is one shorter (2.49 Å) and one longer (2.59 Å) Mo(4)-P(2) bond length. In the fifth Mo site, Mo(5) is bonded in a distorted octahedral geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. Both Mo(5)-P(1) bond lengths are 2.55 Å. Both Mo(5)-P(2) bond lengths are 2.65 Å. Both Mo(5)-P(3) bond lengths are 2.64 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(4), one P(1), one P(2), and one P(3) atom. The Ni(1)-P(1) bond length is 2.19 Å. The Ni(1)-P(2) bond length is 2.20 Å. The Ni(1)-P(3) bond length is 2.22 Å. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Mo(4), two equivalent Mo(1), two equivalent Mo(3), one P(1), and one P(2) atom. The Ni(2)-P(1) bond length is 2.26 Å. The Ni(2)-P(2) bond length is 2.21 Å. In the third Ni site, Ni(3) is bonded in a distorted linear geometry to two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(4), and two equivalent P(1) atoms. Both Ni(3)-P(1) bond lengths are 2.24 Å. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Mo(2), one Mo(4), two equivalent Mo(1), one P(2), and one P(3) atom. The Ni(4)-P(2) bond length is 2.26 Å. The Ni(4)-P(3) bond length is 2.21 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(5), two equivalent Mo(4), one Ni(1), one Ni(2), and one Ni(4) atom. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(3), one Ni(1), and one Ni(4) atom.