Information card for entry 7709937

Structure parameters

• Formula: C34 H25 N6 P
• Calculated formula: C34 H25 N6 P
• SMILES: P(c1ccccc1)(c1ccccc1c1nnn(c2ccccc2)c1)c1c(c2nnn(c3ccccc3)c2)cccc1
• Title of publication: RuII complexes of 1,2,3-triazoles appended tertiary phosphines, [P(Ph){(o-C6H4)(1,2,3-N3C(Ph)CH}2] and [P(Ph){o-C6H4(CCH)- (1,2,3-N3-Ph)}2]: Highly active catalysts for transfer hydrogenation of carbonyl/nitro compounds and for α–alkylation of ketones
• Authors of publication: Namdeo, Pavan; sheokand, Sonu; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Kunchur, Harish S.; Saini, Prateek; Ramakrishnan, Srinivasan; Balakrishna, Maravanji Shivaramaiah
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.275 ± 0.0004 Å
• b: 11.2538 ± 0.0004 Å
• c: 13.5669 ± 0.0004 Å
• α: 67.759 ± 0.003°
• β: 72.5 ± 0.003°
• γ: 86.226 ± 0.003°
• Cell volume: 1382.81 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No