Information card for entry 4323834

Structure parameters

• Formula: C30 H42 Cl2 Cu I N15 P3 Zn
• Calculated formula: C30 H42 Cl2 Cu I N15 P3 Zn
• SMILES: [Zn]12(Cl)(Cl)[N]3=P4(N=P(N=P3(n3[n]2c(cc3C)C)n2nc(cc2C)C)(n2[n]([Cu](I)[n]3n4c(cc3C)C)c(cc2C)C)n2nc(cc2C)C)n2[n]1c(cc2C)C
• Title of publication: Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior
• Authors of publication: Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3981 - 3989
• a: 22.876 ± 0.005 Å
• b: 21.599 ± 0.004 Å
• c: 9.117 ± 0.002 Å
• α: 90°
• β: 93.54 ± 0.02°
• γ: 90°
• Cell volume: 4496.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1033
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.2645
• Weighted residual factors for significantly intense reflections: 0.2006
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for significantly intense reflections: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No