Information card for entry 2214219

Structure parameters

• Chemical name: Tetrakis(1,10-phenanthroline)calcium(II) bis(perchlorate) 4-(dimethylamino)benzaldehyde disolvate
• Formula: C66 H54 Ca Cl2 N10 O10
• Calculated formula: C66 H54 Ca Cl2 N10 O10
• Title of publication: Tetrakis(1,10-phenanthroline)calcium(II) bis(perchlorate) 4-(dimethylamino)benzaldehyde disolvate
• Authors of publication: Xi-Shi Tai; Jie Yin; Ming-Yang Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1827 - m1827
• a: 17.455 ± 0.003 Å
• b: 17.455 ± 0.003 Å
• c: 38.952 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11868 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2233
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.3877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes