Information card for entry 4326419

Structure parameters

• Formula: C46 H54 Cl2 Co2 N4 O4
• Calculated formula: C46 H54 Cl2 Co2 N4 O4
• SMILES: [Co]12(Cl)([n]3n([Co](Cl)([n]4n1c(cc4c1ccccc1)c1ccccc1)([O]1CCCC1)[O]12CCCC1)c(cc3c1ccccc1)c1ccccc1)[O]1CCCC1.O1CCCC1
• Title of publication: Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds
• Authors of publication: Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9210 - 9212
• a: 11.1641 ± 0.001 Å
• b: 12.7107 ± 0.0011 Å
• c: 30.885 ± 0.003 Å
• α: 90°
• β: 99.31 ± 0.005°
• γ: 90°
• Cell volume: 4325 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2062
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No