Information card for entry 7013310

Structure parameters

• Formula: C58 H62 B2 F8 Mo N4 O P4
• Calculated formula: C59.4 H50 B2 F8 Mo N4 O P4
• Title of publication: Syntheses and properties of hydride‒cyanamide and derived hydrogen-cyanamide complexes of molybdenum(IV). Crystal structure of [MoH2(NCNH2)2(Ph2PCH2CH2PPh2)2][BF4]2
• Authors of publication: Luísa M. D. R. S. Martins; Elisabete C. B. A. Alegria; David L. Hughes; João J. R. Fraústo da Silva; Armando J. L. Pombeiro
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3743 - 3750
• a: 32.62 ± 0.005 Å
• b: 14.848 ± 0.002 Å
• c: 12.44 ± 0.003 Å
• α: 90°
• β: 96.06 ± 0.02°
• γ: 90°
• Cell volume: 5991.5 ± 1.9 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1559
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No