Information card for entry 4100458

Structure parameters

• Common name: (Ar*S)2Ni.2PhMe
• Formula: C86 H114 Ni S2
• Calculated formula: C86 H114 Ni S2
• SMILES: [Ni](Sc1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Sc1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 14.887 ± 0.009 Å
• b: 29.093 ± 0.018 Å
• c: 22.814 ± 0.01 Å
• α: 90°
• β: 130.73 ± 0.02°
• γ: 90°
• Cell volume: 7488 ± 7 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No