Information card for entry 4318630

Structure parameters

• Formula: C112 H110 Cl12 N4 P2 Ru
• Calculated formula: C112 H110 Cl12 N4 P2 Ru
• Title of publication: Phosphine and Phosphonite Complexes of a Ruthenium(II) Porphyrin. 1. Synthesis, Structure, and Solution State Studies
• Authors of publication: Eugen Stulz; Michael Maue; Neil Feeder; Simon J. Teat; Yiu-Fai Ng; Andrew D. Bond; Scott L. Darling; Jeremy K. M. Sanders
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5255 - 5268
• a: 13.8041 ± 0.0007 Å
• b: 13.8388 ± 0.0008 Å
• c: 14.7719 ± 0.0008 Å
• α: 87.73 ± 0.002°
• β: 83.01 ± 0.002°
• γ: 67.105 ± 0.002°
• Cell volume: 2580.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.6923 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No