Information card for entry 4113712

Structure parameters

• Chemical name: Bis(dimolybdenum(II)(N,N'-di-p-anisylformamidinate)3) (μ-deca-trans,trans,trans,trans-2,4,6,8-tetraene-1,10-dioate) mono(C~6~H~14~) mono(C~6~H~4~Cl~2~) disolvate
• Formula: C112 H116 Cl2 Mo4 N12 O16
• Calculated formula: C112 H98 Cl2 Mo4 N12 O16
• Title of publication: Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry
• Authors of publication: F. Albert Cotton; James P. Donahue; Carlos A. Murillo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5436 - 5450
• a: 12.6901 ± 0.001 Å
• b: 15.0798 ± 0.0012 Å
• c: 15.4836 ± 0.0012 Å
• α: 98.081 ± 0.001°
• β: 105.715 ± 0.001°
• γ: 104.35 ± 0.001°
• Cell volume: 2693.9 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No