Information card for entry 7011671

Structure parameters

• Formula: C56 H50 Mo N6 O4 P2
• Calculated formula: C56 H46 Mo N6 O4 P2
• Title of publication: Crystal structures of mixed-ligand oxocyano complexes of molybdenum(IV) and tungsten(IV) and their reactivity towards molecular oxygen studied by IR spectroscopy
• Authors of publication: Dariusz Matoga; Janusz Szklarzewicz; Alina Samotus; Krzysztof Lewiński
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3587 - 3592
• a: 13.573 ± 0.0002 Å
• b: 13.689 ± 0.0002 Å
• c: 16.907 ± 0.0003 Å
• α: 69.304 ± 0.0007°
• β: 89.279 ± 0.0006°
• γ: 62.102 ± 0.0006°
• Cell volume: 2552.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No