Information card for entry 4318255

Structure parameters

• Formula: C32 H62 Ca N2 P2 Si4
• Calculated formula: C32 H62 Ca N2 P2 Si4
• SMILES: [Ca]12(P(C([Si](C)(C)C)[Si](C)(C)C)c3ccccc3C[N]1(C)C)P(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1C[N]2(C)C
• Title of publication: A Homologous Series of Alkaline Earth Phosphanides: Syntheses, Crystal Structures, and Unusual Dynamic Behavior of (THF)nM[P{CH(SiMe3)2}(C6H4-2-CH2NMe2)]2 (M = Mg, Ca, Sr, Ba)
• Authors of publication: Stuart Blair; Keith Izod; William Clegg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3886 - 3893
• a: 9.555 ± 0.0004 Å
• b: 17.456 ± 0.0007 Å
• c: 24.5782 ± 0.001 Å
• α: 90°
• β: 91.673 ± 0.002°
• γ: 90°
• Cell volume: 4097.7 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No