Information card for entry 4089063

Structure parameters

• Formula: C36 H45 B10 N4 O P
• Calculated formula: C36 H45 B10 N4 O P
• SMILES: [P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O(N=C(N)c1ccccc1)C(=[NH][B]1234[BH]56[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[BH]691)C.N#CC
• 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: 16.1998 ± 0.0006 Å
• b: 12.8001 ± 0.0004 Å
• c: 18.7831 ± 0.0007 Å
• α: 90°
• β: 104.362 ± 0.004°
• γ: 90°
• Cell volume: 3773.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No