Information card for entry 8101977

Structure parameters

• Chemical name: chloro-acrylato-bis(1,10-phenanthroline)-cadmium(II)
• Formula: C27 H19 Cd Cl N4 O2
• Calculated formula: C27 H19 Cd Cl N4 O2
• SMILES: [Cd]123(Cl)([O]=C(C=C)O1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: Crystal structure of chloro(acrylato-O,O')bis(1,10-phenanthroline- N,N')cadmium(II), CdCl(C~3~H~3~O~2~)(C~12~H~8~N~2~)~2~
• Authors of publication: Cai, T.-J.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Deng, Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 231 - 232
• a: 9.485 ± 0.003 Å
• b: 10.65 ± 0.003 Å
• c: 13.167 ± 0.004 Å
• α: 80.904 ± 0.007°
• β: 85.256 ± 0.007°
• γ: 66.161 ± 0.006°
• Cell volume: 1201 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0272
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No