Information card for entry 8102089

Structure parameters

• Chemical name: trichloro-bis(N,N'-1,10-phenanthroline)-dimethylformamide-cerium(III) dimethylformamide solvate
• Formula: C30 H30 Ce Cl3 N6 O2
• Calculated formula: C30 H30 Ce Cl3 N6 O2
• SMILES: [Ce]12(Cl)(Cl)(Cl)([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c3c4[n]2cccc4ccc3ccc1)[O]=CN(C)C.N(C=O)(C)C
• Title of publication: Crystal structure of trichloro-bis(N,N'-1,10-phenanthroline)-dimethylformamide- cerium(III) dimethylformamide solvate, Ce(C~12~H~8~N~2~)~2~((CH~3~)~2~NCHO)Cl~3~ · (CH~3~)~2~NCHO
• Authors of publication: Jin, Q.-H.; Deng, S.-F.; Dong, J.-C.; Gao, H.-W.; Li, P.-Z.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 98 - 100
• a: 14.4997 ± 0.0003 Å
• b: 9.9858 ± 0.0002 Å
• c: 22.1235 ± 0.0004 Å
• α: 90°
• β: 92.123 ± 0.001°
• γ: 90°
• Cell volume: 3201.09 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No