Information card for entry 7209099

Structure parameters

• Common name: carbonatobis(1,10-phenanthroline)cobalt(iii) 3-methyl-4- nitrobenzoate.pentahydrate
• Chemical name: carbonatobis(1,10-phenanthroline)cobalt(III) 3-methyl-4-nitrobenzoate.pentahydrate
• Formula: C33 H32 Co N5 O12
• Calculated formula: C33 H28 Co N5 O12
• 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: 10.395 ± 0.002 Å
• b: 12.82 ± 0.003 Å
• c: 13.611 ± 0.003 Å
• α: 78.43 ± 0.03°
• β: 76.51 ± 0.03°
• γ: 74 ± 0.03°
• Cell volume: 1677.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No