Information card for entry 7211773

Structure parameters

• Formula: C40 H42 Cr N2 O13 P
• Calculated formula: C40 H32 Cr N2 O13 P
• SMILES: [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1ccc(cc1c1[n]3ccc(c1)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O
• Title of publication: [Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O
• Authors of publication: Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 122
• a: 9.804 ± 0.004 Å
• b: 11.001 ± 0.004 Å
• c: 20.153 ± 0.008 Å
• α: 92.799 ± 0.009°
• β: 98.239 ± 0.009°
• γ: 109.087 ± 0.008°
• Cell volume: 2022.2 ± 1.4 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: 0.1289
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No