Information card for entry 7100026

Structure parameters

• Formula: C9 H4 N0.5 Ni S11
• Calculated formula: C9 N0.5 Ni S11
• Title of publication: A unique new multiband molecular conductor: [BDTA][Ni(dmit)2]2
• Authors of publication: Neil Robertson; A.Kuni; Stewart J. Clark; Hengbo Cui.; Wataru Fujita; Hayao Kobayahi; S.S. Staniland; Yoshikatsu Umezono
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.454 ± 0.004 Å
• b: 7.448 ± 0.004 Å
• c: 19.603 ± 0.01 Å
• α: 99.707 ± 0.005°
• β: 91.077 ± 0.005°
• γ: 115.569 ± 0.006°
• Cell volume: 833.5 ± 0.8 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No