Information card for entry 1100600

Structure parameters

• Formula: C25 H62 Cd4 Cl6 N4 P4
• Calculated formula: C25 H62 Cd4 Cl6 N4 P4
• SMILES: [Cd]12(Cl)[N]3([Cd]4(Cl)[N]5([Cd](Cl)([N]14=P(CC)(CC)CC)[N]2([Cd]35Cl)=P(CC)(CC)CC)=P(CC)(CC)CC)=P(CC)(CC)CC.ClCCl
• 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: 11.007 ± 0.003 Å
• b: 10.988 ± 0.003 Å
• c: 18.528 ± 0.002 Å
• α: 90°
• β: 90.57 ± 0.02°
• γ: 90°
• Cell volume: 2240.8 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.1429
• Goodness-of-fit parameter for all reflections: 1.331
• Goodness-of-fit parameter for significantly intense reflections: 1.337
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No