Information card for entry 7209105

Structure parameters

• Common name: carbonatobis(1,10-phenanthroline)cobalt(iii) 2- napthaleneacetate.heptahydrate
• Chemical name: carbonatobis(1,10-phenanthroline)cobalt(III) 2-napthaleneacetate.heptahydrate
• Formula: C37 H39 Co N4 O12
• Calculated formula: C37 H39 Co N4 O12
• SMILES: [Co]123(OC(=O)O1)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.O=C([O-])Cc1cccc2ccccc12.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: 16.3601 ± 0.0003 Å
• b: 16.1545 ± 0.0003 Å
• c: 14.0117 ± 0.0003 Å
• α: 90°
• β: 103.027 ± 0.001°
• γ: 90°
• Cell volume: 3607.84 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No