Information card for entry 4350208

Structure parameters

• Formula: C55 H113.5 Cl Co2 N14.5 O4.5
• Calculated formula: C55 H112 Cl Co2 N14.5 O4.5
• Title of publication: Pyrazolate-bridging dinucleating ligands containing hydrogen-bond donors: synthesis and structure of their cobalt analogues.
• Authors of publication: Zinn, Paul J.; Powell, Douglas R.; Day, Victor W.; Hendrich, Michael P.; Sorrell, Thomas N.; Borovik, A. S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3484 - 3486
• a: 13.6311 ± 0.0006 Å
• b: 15.3318 ± 0.0007 Å
• c: 17.3877 ± 0.0008 Å
• α: 109.945 ± 0.001°
• β: 98.922 ± 0.001°
• γ: 94.224 ± 0.001°
• Cell volume: 3343.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No