Information card for entry 4319374

Structure parameters

• Formula: C108 H127 Cl4 Mo4 N12 O16.5
• Calculated formula: C109 H96 Cl4 Mo4 N12 O16.5
• Title of publication: The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry
• Authors of publication: F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1234 - 1244
• a: 17.792 ± 0.002 Å
• b: 19.467 ± 0.002 Å
• c: 31.665 ± 0.003 Å
• α: 90°
• β: 104.36 ± 0.002°
• γ: 90°
• Cell volume: 10624.7 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.2021
• Weighted residual factors for significantly intense reflections: 0.166
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No