Information card for entry 4330651

Structure parameters

• Formula: C113 H107.25 Cd3 Cl11.5 N21 O18.25 P9
• Calculated formula: C113 H106.75 Cd3 Cl11.5 N21 O18.25 P9
• Title of publication: Zinc, Cadmium, and Mercury Complexes of a Pyridyloxy-Substituted Cyclotriphosphazene: Syntheses, Structures, and Fluxional Behavior
• Authors of publication: Eric W. Ainscough; Andrew M. Brodie; Patrick J. B. Edwards; Geoffrey B. Jameson; Carl A. Otter; Stephen Kirk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10884 - 10892
• a: 13.8423 ± 0.0005 Å
• b: 17.6519 ± 0.0007 Å
• c: 27.6057 ± 0.0011 Å
• α: 90.811 ± 0.002°
• β: 94.71 ± 0.002°
• γ: 101.398 ± 0.002°
• Cell volume: 6586.7 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No