Information card for entry 4302901

Structure parameters

• Formula: C30 H66 Ca2 N6 Si4
• Calculated formula: C30 H66 Ca2 N6 Si4
• SMILES: [cH]12[cH]3[cH]4[c]56[Ca]78134([n]25[Ca]1234([cH]5[cH]1[cH]2[c]3(C[N]7(CC)CC)[n]845)([N](C6)(CC)CC)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Monomeric, Dimeric, and Trimeric Calcium Compounds Containing Substituted Pyrrolyl and Ketiminate Ligands: Synthesis and Structural Characterization
• Authors of publication: Shih-Mao Ho; Ching-Sheng Hsiao; Amitabha Datta; Chen-Hsiung Hung; Ling-Chueh Chang; Ting-Yu Lee; Jui-Hsien Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8004 - 8011
• a: 9.8626 ± 0.0006 Å
• b: 17.5189 ± 0.001 Å
• c: 12.1437 ± 0.0007 Å
• α: 90°
• β: 92.749 ± 0.002°
• γ: 90°
• Cell volume: 2095.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No