Information card for entry 4338690

Structure parameters

• Formula: C52 H46 N10 O14 Zn2
• Calculated formula: C52 H46 N10 O14 Zn2
• SMILES: Cc1cc(C)[n]2n1C1n3[n]([Zn]2(OC(=O)c2ccncc2)OC(=O)c2ccc(C4n5c(C)cc(C)[n]5[Zn]([n]5c(cc(C)n45)C)(OC(=O)c4ccc1cc4)OC(=O)c1ccncc1)cc2)c(cc3C)C.O.OC.OC.O.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: 10.5179 ± 0.0009 Å
• b: 11.6082 ± 0.001 Å
• c: 12.8981 ± 0.0011 Å
• α: 79.625 ± 0.005°
• β: 69.471 ± 0.005°
• γ: 85.661 ± 0.005°
• Cell volume: 1450.5 ± 0.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No