Information card for entry 7216111

Structure parameters

• Common name: (Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)
• Chemical name: [Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)
• Formula: C20 H32 Cl2 Co N4 O12
• Calculated formula: C20 H16 Cl2 Co N4 O12
• SMILES: c1n(ccc(c1)c1ccn(=O)cc1)=O.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-].O.c1cc(ccn1=O)c1ccn(=O)cc1.[Cl-].O
• Title of publication: Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide
• Authors of publication: Bourne, Susan A.; Moitsheki, Lesego J.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 112
• Pages of publication: 674
• a: 6.7328 ± 0.0002 Å
• b: 10.2841 ± 0.0003 Å
• c: 10.6577 ± 0.0003 Å
• α: 85.2 ± 0.001°
• β: 70.023 ± 0.001°
• γ: 91.103 ± 0.001°
• Cell volume: 690.21 ± 0.03 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.3124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No