Information card for entry 7216112

Structure parameters

• Common name: (CoI2(H2O)4) . 2(bpdo)
• Formula: C20 H24 Co I2 N4 O8
• Calculated formula: C20 H24 Co I2 N4 O8
• SMILES: c1cc(ccn1=O)c1ccn(cc1)=O.I[Co]([OH2])(I)([OH2])([OH2])[OH2].c1cc(ccn1=O)c1ccn(cc1)=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: 19.149 ± 0.003 Å
• b: 19.149 ± 0.003 Å
• c: 13.917 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5103.1 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No