Information card for entry 1100604

Structure parameters

• Formula: C23 H57 Cd4 I4 N4 O P3 Si
• Calculated formula: C23 H57 Cd4 I4 N4 O P3 Si
• SMILES: [Cd]12(N3(=P(CC)(CC)CC)[Cd]4(N5(=P(CC)(CC)CC)[Cd]3([O]1([Si](C)(C)C)[Cd]5(I)N24=P(CC)(CC)CC)I)I)I.N#CC
• Title of publication: Heterocubane Phosphoraniminato Complexes of Cadmium
• Authors of publication: Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1099 - 1104
• a: 20.111 ± 0.009 Å
• b: 11.9913 ± 0.0008 Å
• c: 20.655 ± 0.01 Å
• α: 90°
• β: 111.44 ± 0.02°
• γ: 90°
• Cell volume: 4638.5 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0813
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No