Information card for entry 4324022

Structure parameters

• Formula: C24 H62 Cl4 N12 Ni O5 P4
• Calculated formula: C24 H62 Cl4 N12 Ni O5 P4
• Title of publication: Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals
• Authors of publication: Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4218 - 4226
• a: 12.333 ± 0.002 Å
• b: 12.333 ± 0.002 Å
• c: 26.132 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3974.8 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections: 0.1544
• Weighted residual factors for significantly intense reflections: 0.1058
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No