Information card for entry 7212145

Structure parameters

• Formula: C24 H64 Cr2 N8 Ni O26
• Calculated formula: C24 H48 Cr2 N8 Ni O26
• SMILES: C1C(=O)O[Cr]23(OC1=O)([OH][Cr]14(OC(=O)CC(=O)O1)(OC(=O)CC(=O)O4)[OH]3)OC(=O)CC(=O)O2.C1C[N]2(CC[NH2][Ni]342([NH2]1)[NH2]CC[N]4(CC[NH2]3)CC[NH3+])CC[NH3+].O.O.O.O.O.O.O.O
• Title of publication: Building-block process for the synthesis of new chromium(iii) malonate complexes
• Authors of publication: Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2711
• a: 9.1804 ± 0.0005 Å
• b: 9.6532 ± 0.0005 Å
• c: 13.0261 ± 0.0006 Å
• α: 106.313 ± 0.004°
• β: 103.821 ± 0.004°
• γ: 95.435 ± 0.005°
• Cell volume: 1059.48 ± 0.1 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: 0.1165
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No