Information card for entry 4310065

Structure parameters

• Formula: C30 H18 N6 O6 Re2
• Calculated formula: C30 H18 N6 O6 Re2
• SMILES: C(#[O])[Re]1(C#[O])([n]2ccccc2)(C#[O])n2c3c4n(c5c(cccc5)[n]14)[Re](C#[O])(C#[O])(C#[O])([n]3c1c2cccc1)[n]1ccccc1
• 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: 9.0787 ± 0.0018 Å
• b: 16.653 ± 0.003 Å
• c: 9.4591 ± 0.0019 Å
• α: 90°
• β: 91.161 ± 0.003°
• γ: 90°
• Cell volume: 1429.8 ± 0.5 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: 0.023
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No