Information card for entry 7052437

Structure parameters

• Formula: C41 H34 Cr N6 O2 P
• Calculated formula: C41 H34 Cr N6 O2 P
• SMILES: [Cr]1([n]2cccc3ccc4ccc[n]1c4c23)(C#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CO.O
• Title of publication: [CrIII(L)(CN)4]-: a new building block in designing cyanide-bridged 4,2-ribbon-like chains {[CrIII(L)(CN)4]2Mn(H2O)2}·nH2O [L = 2-aminomethylpyridine (n = 6) and 1,10-phenanthroline (n = 4)]
• Authors of publication: Luminita Toma; Rodrigue Lescouëzec; Jacqueline Vaissermann; Patrick Herson; Valérie Marvaud; Francesc Lloret; Miguel Julve
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 210
• a: 9.369 ± 0.003 Å
• b: 27.635 ± 0.007 Å
• c: 14.477 ± 0.004 Å
• α: 90°
• β: 97.52 ± 0.02°
• γ: 90°
• Cell volume: 3716 ± 1.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Ambient diffracton pressure: 1 kPa
• Number of distinct elements: 6
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No