Information card for entry 4324021

Structure parameters

• Formula: C42 H60 B N10 Ni O4 P3
• Calculated formula: C42 H58 B N10 Ni O4 P3
• 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: 10.76 ± 0.002 Å
• b: 12.589 ± 0.003 Å
• c: 17.855 ± 0.004 Å
• α: 73.45 ± 0.03°
• β: 81.37 ± 0.03°
• γ: 81.27 ± 0.03°
• Cell volume: 2276.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.198
• Weighted residual factors for significantly intense reflections: 0.1625
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for significantly intense reflections: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No