Information card for entry 2007696

Structure parameters

• Chemical name: 1,2-di-η^5^-cyclopentadienyl-1,2-dinickela-closo-dodecaborane
• Formula: C10 H20 B10 Ni2
• Calculated formula: C10 H20 B10 Ni2
• SMILES: [Ni]1234([cH]56)([cH]57)([cH]65)([cH]56)([cH]67)[Ni]567([cH]89)([cH]8%10)([cH]98)([cH]89)([cH]9%10)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: A <i>closo</i>-12-Vertex Dinickelaborane: [(η^5^-C~5~H~5~)~2~Ni~2~B~10~H~10~]
• Authors of publication: Jian-Min Dou; Chun-Hua Hu; Jian-Ming Gu; Yong Nie; Hai-Jun Yao; Ruo-Shui Jin; Pei-Ju Zheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1418 - 1419
• a: 12.544 ± 0.001 Å
• b: 9.017 ± 0.002 Å
• c: 15.12 ± 0.001 Å
• α: 90°
• β: 110.54 ± 0.01°
• γ: 90°
• Cell volume: 1601.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No