Information card for entry 7011154

Structure parameters

• Formula: C56 H53 B F4 Mo N4 O P4
• Calculated formula: C56 H53 B F4 Mo N4 O P4
• Title of publication: Activation of cyanamide by a molybdenum(0) diphosphinic centre. Formation of cyanoimide and its reactivity with electrophiles
• Authors of publication: Cunha, Sónia M. P. R. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1791
• a: 11.778 ± 0.002 Å
• b: 21.29 ± 0.004 Å
• c: 22.115 ± 0.004 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 5544.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No