Information card for entry 4338698

Structure parameters

• Formula: C76 H80 N16 O12 Zn2
• Calculated formula: C76 H80 N16 O12 Zn2
• SMILES: c1(cc(C)n2[n]1[Zn]1([n]3c(C)cc(n3C2c2ccc(cc2)C(=O)O[Zn]2([n]3c(C)cc(C)n3C(n3c(cc(C)[n]23)C)c2ccc(cc2)C(=O)O1)OC(=O)c1ccc(C(n2[nH]c(cc2C)C)n2[nH]c(C)cc2C)cc1)C)OC(=O)c1ccc(C(n2[nH]c(cc2C)C)n2[nH]c(C)cc2C)cc1)C.OC.OC.OC.OC
• 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: 14.6632 ± 0.0008 Å
• b: 19.3092 ± 0.0011 Å
• c: 14.9274 ± 0.0008 Å
• α: 90°
• β: 114.139 ± 0.003°
• γ: 90°
• Cell volume: 3856.9 ± 0.4 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No