Information card for entry 4350209

Structure parameters

• Formula: C61 H126 Cl Co2 N15 O5
• Calculated formula: C61 H126 Cl Co2 N15 O5
• SMILES: [Co]1234[Cl][Co]567[N](Cc8[n]7n4c(C[N]1(CCN2C(=O)[NH]C(C)(C)C)CCN3C(=O)NC(C)(C)C)c8)(CCN5C(=O)[NH]C(C)(C)C)CCN6C(=O)NC(C)(C)C.[N+](CCC)(CCC)(CCC)CCC.[N+](CCC)(CCC)(CCC)CCC.O=C(N(C)C)C
• 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: 15.293 ± 0.003 Å
• b: 22.333 ± 0.004 Å
• c: 21.971 ± 0.004 Å
• α: 90°
• β: 99.132 ± 0.005°
• γ: 90°
• Cell volume: 7409 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No