Information card for entry 7002862

Structure parameters

• Formula: C6 H12 Cr N3 O12
• Calculated formula: C6 H12 Cr N3 O12
• SMILES: C(N)=O=[Cr](OC=O)([O]=CN)([O]=CN)(OC=O)OC=O.O.O.O
• Title of publication: Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour
• Authors of publication: Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10343 - 10352
• a: 7.9412 ± 0.0001 Å
• b: 7.9412 ± 0.0001 Å
• c: 21.5191 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1175.24 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No