Information card for entry 4318628

Structure parameters

• Formula: C100 H106 N4 P2 Ru
• Calculated formula: C100 H106 N4 P2 Ru
• SMILES: C1=c2c(c(c3=C(c4c(c(c5=Cc6c(c(c7C(=c8c(c(c1[n]8[Ru](n67)([P](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)([n]45)(n23)[P](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)CC)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C)CC)CC)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C)CC
• 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: 11.1136 ± 0.0005 Å
• b: 12.4931 ± 0.0005 Å
• c: 16.7167 ± 0.0007 Å
• α: 71.554 ± 0.002°
• β: 73.964 ± 0.002°
• γ: 73.214 ± 0.002°
• Cell volume: 2063.81 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No