Information card for entry 7002861

Structure parameters

• Formula: C6 H6 Cr N0 Na O14
• Calculated formula: C6 H6 Cr Na O14
• SMILES: C(O[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O)=[O].[Na+].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: 7.937 ± 0.0006 Å
• b: 7.937 ± 0.0006 Å
• c: 21.449 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1170.17 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No