Information card for entry 7018295

Structure parameters

• Formula: C18 H22 Co N6 O8
• Calculated formula: C18 H22 Co N6 O8
• SMILES: [Co]123([N]([C@@H]4C[C@H]([N]1=Cc1[n]3cccc1)CC(O)C4)=Cc1[n]2cccc1)(ON(=O)=O)[OH2].N(=O)(=O)[O-].[Co]123([N]([C@H]4C[C@@H]([N]1=Cc1[n]3cccc1)CC(O)C4)=Cc1[n]2cccc1)(ON(=O)=O)[OH2].N(=O)(=O)[O-]
• Title of publication: [Co(x)Cu(1-x)(DDOP)(OH(2))(NO(3))](NO(3)): hydrogen bond-driven distortion of cobalt(ii) by solid solution 'network mismatch'.
• Authors of publication: Fielden, John; Long, De-Liang; Speldrich, Manfred; Kögerler, Paul; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4927 - 4934
• a: 9.9345 ± 0.0001 Å
• b: 7.2398 ± 0.0001 Å
• c: 30.0756 ± 0.0005 Å
• α: 90°
• β: 108.139 ± 0.001°
• γ: 90°
• Cell volume: 2055.65 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No