Information card for entry 4089064

Structure parameters

• Formula: C37 H48 B10 N3 O P
• Calculated formula: C37 H48 B10 N3 O P
• SMILES: [P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O(/N=C(\N)Cc1ccccc1)/C(=[NH]/[B]1234[BH]56[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[BH]691)CCC
• 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: 11.3975 ± 0.0003 Å
• b: 18.5885 ± 0.0005 Å
• c: 19.696 ± 0.0003 Å
• α: 70.5087 ± 0.0018°
• β: 88.8007 ± 0.0016°
• γ: 79.0086 ± 0.0019°
• Cell volume: 3857.43 ± 0.17 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: 0.0441
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No