Information card for entry 4089060

Structure parameters

• Formula: C37 H47 B10 N4 O P
• Calculated formula: C37 H47 B10 N4 O P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(Cc1ccccc1)c1ccccc1.O(N=C(N)c1ccccc1)C(=[NH][B]1234[BH]56[BH]789[BH]%1025[BH]251[BH]17%10[BH]75[BH]542[BH]368[BH]9175)CC.CC#N
• Title of publication: Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster
• Authors of publication: Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3612
• a: 9.4705 ± 0.0004 Å
• b: 14.2282 ± 0.0007 Å
• c: 16.6636 ± 0.0008 Å
• α: 64.937 ± 0.005°
• β: 77.248 ± 0.004°
• γ: 72.437 ± 0.004°
• Cell volume: 1927.9 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No