Information card for entry 7020611

Structure parameters

• Chemical name: 1,10-phenanthrolinium (1,10-phenanthroline-N,N')bis(oxalato-O,O')chromium(III) dihydrate
• Formula: C28 H21 Cr N4 O10
• Calculated formula: C28 H21 Cr N4 O10
• SMILES: [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1cccc2ccc4ccc[n]3c4c12.O.O.[nH+]1cccc2ccc3cccnc3c12
• Title of publication: Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.
• Authors of publication: Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14611 - 14624
• a: 18.662 ± 0.005 Å
• b: 18.923 ± 0.005 Å
• c: 7.637 ± 0.005 Å
• α: 90°
• β: 96.76 ± 0.005°
• γ: 90°
• Cell volume: 2678 ± 2 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: 0.0388
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No