Information card for entry 4324502

Structure parameters

• Formula: C31 H20 Cl3 Cr2 N3 O10 Zn
• Calculated formula: C31 H20 Cl3 Cr2 N3 O10 Zn
• SMILES: [c]12(C3=[O][Zn]4([n]5c(cccc5)Nc5cccc[n]54)(O3)OC(=O)[c]34[cH]5[cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])C#[O])[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O].C(Cl)(Cl)Cl
• Title of publication: Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl
• Authors of publication: Balasubramanian Murugesapandian; Peter W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1698 - 1704
• a: 11.5244 ± 0.0004 Å
• b: 12.5316 ± 0.0005 Å
• c: 13.4182 ± 0.0006 Å
• α: 95.948 ± 0.003°
• β: 96.497 ± 0.003°
• γ: 114.688 ± 0.003°
• Cell volume: 1724.8 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No