Information card for entry 4346009

Structure parameters

• Common name: [Mo2(C15H15N2O2)2]2(OCH3)4PF6, 2CH2Cl2
• Formula: C66 H76 Cl4 F6 Mo4 N8 O12 P
• Calculated formula: C66 H76 Cl4 F6 Mo4 N8 O12 P
• Title of publication: Transition from a Nonbonding to a Bonding Interaction in a Tetranuclear [Mo2]2(mu-OR)4 Cluster
• Authors of publication: F. Albert Cotton; Zhong Li; Chun Y. Liu; Carlos A. Murillo; Qinliang Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 6387 - 6395
• a: 10.067 ± 0.002 Å
• b: 12.042 ± 0.003 Å
• c: 15.385 ± 0.003 Å
• α: 89.052 ± 0.004°
• β: 78.797 ± 0.004°
• γ: 82.177 ± 0.004°
• Cell volume: 1812.4 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No