Information card for entry 4323796

Structure parameters

• Formula: C42 H76 K2 Mo N6 O16 P7
• Calculated formula: C42.02 H76.04 K2 Mo N6 O16 P7
• Title of publication: Synthesis, Structure, and Reactivities of [η2-P7M(CO)4]3-, [η2-HP7M(CO)4]2-, and [η2-RP7M(CO)4]2-Zintl Ion Complexes Where M = Mo, W
• Authors of publication: Scott Charles; James C. Fettinger; Bryan W. Eichhorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1540 - 1548
• a: 22.848 ± 0.002 Å
• b: 12.5283 ± 0.0015 Å
• c: 21.46 ± 0.002 Å
• α: 90°
• β: 91.412 ± 0.012°
• γ: 90°
• Cell volume: 6141 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections: 0.161
• Weighted residual factors for significantly intense reflections: 0.1399
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No