Information card for entry 1100601

Structure parameters

• Formula: C38 H76 Br4 Cd4 N4 P4
• Calculated formula: C38 H76 Br4 Cd4 N4 P4
• SMILES: Cc1ccccc1.Cc1ccccc1.CCP(=[N]12[Cd]3(Br)[N]4(=P(CC)(CC)CC)[Cd]1(Br)[N]1(=P(CC)(CC)CC)[Cd]2(Br)[N]3([Cd]41Br)=P(CC)(CC)CC)(CC)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: 21.601 ± 0.003 Å
• b: 11.942 ± 0.002 Å
• c: 23.55 ± 0.003 Å
• α: 90°
• β: 116.654 ± 0.012°
• γ: 90°
• Cell volume: 5429.4 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.1536
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.0912
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No