Information card for entry 7209103

Structure parameters

• Common name: carbonatobis(1,10-phenanthroline)cobalt(iii) 2- iodobenzoate.heptahydrate
• Chemical name: carbonatobis(1,10-phenanthroline)cobalt(III) 2-iodobenzoate.heptahydrate
• Formula: C32 H34 Co I N4 O12
• Calculated formula: C32 H34 Co I N4 O12
• SMILES: [Co]123(OC(=O)O1)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.Ic1c(cccc1)C(=O)[O-].O.O.O.O.O.O.O
• Title of publication: Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions
• Authors of publication: Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1153
• a: 11.284 ± 0.002 Å
• b: 12.636 ± 0.003 Å
• c: 14.396 ± 0.003 Å
• α: 67.41 ± 0.03°
• β: 77.95 ± 0.03°
• γ: 64.21 ± 0.03°
• Cell volume: 1704.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No