Information card for entry 4338693

Structure parameters

• Formula: C36 H42 Cl2 N8 O14 Zn2
• Calculated formula: C36 H42 Cl2 N8 O14 Zn2
• SMILES: Cc1cc(C)[n]2n1C1n3[n](c(C)cc3C)[Zn]2(OC(=O)c2ccc(C3n4c(C)cc(C)[n]4[Zn]([n]4c(cc(C)n34)C)(OC(=O)c3ccc1cc3)[OH2])cc2)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Cobalt, zinc, and nickel complexes of a diatopic heteroscorpionate ligand: building blocks for coordination polymers.
• Authors of publication: Santillan, Guillermo A.; Carrano, Carl J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2008
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 930 - 939
• a: 9.0732 ± 0.0008 Å
• b: 23.533 ± 0.002 Å
• c: 10.0066 ± 0.0009 Å
• α: 90°
• β: 102.027 ± 0.004°
• γ: 90°
• Cell volume: 2089.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No