Information card for entry 4350577

Structure parameters

• Common name: {[Mo2(DAniF)2]2I4}PF6,2CH2Cl2
• Formula: C62 H64 Cl4 F6 I4 Mo4 N8 O8 P
• Calculated formula: C62 H64 Cl4 F6 I4 Mo4 N8 O8 P
• Title of publication: Strong electronic communication by direct metal-metal interaction in molecules with halide-bridged dimolybdenum pairs.
• Authors of publication: Cotton, F. Albert; Liu, Chun Y.; Murillo, Carlos A.; Zhao, Qinliang
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9493 - 9501
• a: 9.247 ± 0.002 Å
• b: 13.224 ± 0.003 Å
• c: 15.417 ± 0.003 Å
• α: 89.677 ± 0.004°
• β: 79.545 ± 0.004°
• γ: 81.104 ± 0.004°
• Cell volume: 1831.1 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No