Information card for entry 8106432

Structure parameters

• Formula: C21 H42 B9 Ni O2 P2
• Calculated formula: C21 H42 B9 Ni O2 P2
• Title of publication: Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba-nido-undecaborane-κ2 P,P′)-(benzoato-κ2 O,O′)nickel(II), C21H42B9NiO2P2
• Authors of publication: Liguo, Yang; xin, Wang; Qianqian, Gao; Yuqiang, Dai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 59 - 61
• a: 9.384 ± 0.0009 Å
• b: 17.0119 ± 0.0018 Å
• c: 19.9631 ± 0.0019 Å
• α: 90°
• β: 112.25 ± 0.002°
• γ: 90°
• Cell volume: 2949.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No