Information card for entry 2105965

Structure parameters

• Common name: Catena-{Co(amp)3Cr(ox)3.6H2O}
• Chemical name: Catena-{Co(amp)3Cr(ox)3.6H2O}
• Formula: C24 H36 Co Cr N6 O18
• Calculated formula: C24 H36 Co Cr N6 O18
• SMILES: [Co]123([NH2]Cc4[n]1cccc4)([n]1c(cccc1)C[NH2]2)[NH2]Cc1[n]3cccc1.[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)OC(=O)C(=O)O2.O.O.O.O.O.O
• Title of publication: Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study
• Authors of publication: Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Biache, Coralie; Lambi Ngolui, John; Ponou, Siméon; Dahaoui, Slimane; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 900 - 902
• a: 13.1923 ± 0.0008 Å
• b: 18.0299 ± 0.001 Å
• c: 14.1801 ± 0.0009 Å
• α: 90°
• β: 99.357 ± 0.002°
• γ: 90°
• Cell volume: 3327.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No