Information card for entry 4089229

Structure parameters

• Formula: C63 H70 Cl N4 P2 Ru
• Calculated formula: C63 H45 Cl N4 P2 Ru
• Title of publication: Synthesis and Structures of NCN Pincer-Type Ruthenium and Iridium Complexes Bearing Protic Pyrazole Arms
• Authors of publication: Toda, Tatsuro; Saitoh, Koki; Yoshinari, Akihiro; Ikariya, Takao; Kuwata, Shigeki
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 6
• Pages of publication: 1188
• a: 13.6071 ± 0.0018 Å
• b: 34.78 ± 0.005 Å
• c: 12.5004 ± 0.0017 Å
• α: 90°
• β: 100.121 ± 0.002°
• γ: 90°
• Cell volume: 5823.8 ± 1.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No