Information card for entry 4310062

Structure parameters

• Formula: C75 H65 N9 O10.5 Re3
• Calculated formula: C75 H65 N9 O10.5 Re3
• Title of publication: C- and Z-Shaped Coordination Compounds. Synthesis, Structure, and Spectroelectrochemistry of cis- and trans-[Re(CO)3(L)]2-2,2'-bisbenzimidizolate with L = 4-Phenylpyridine, 2,4'-Bipyridine, or Pyridine
• Authors of publication: Peter H. Dinolfo; Kurt D. Benkstein; Charlotte L. Stern; Joseph T. Hupp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8707 - 8714
• a: 12.2442 ± 0.0007 Å
• b: 27.6324 ± 0.0016 Å
• c: 22.4781 ± 0.0012 Å
• α: 90°
• β: 95.05 ± 0.001°
• γ: 90°
• Cell volume: 7575.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No