Information card for entry 7702342

Structure parameters

• Formula: C94 H94 Cl4 Mo4 N12 O16
• Calculated formula: C94 H90 Cl4 Mo4 N12 O16
• Title of publication: Coupling Mo2n+ units via dicarboxylate bridges
• Authors of publication: Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 19
• Pages of publication: 3151
• a: 13.998 ± 0.002 Å
• b: 17.441 ± 0.003 Å
• c: 20.229 ± 0.001 Å
• α: 90°
• β: 97.4 ± 0.01°
• γ: 90°
• Cell volume: 4897.6 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.1209
• Goodness-of-fit parameter for all reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No