Information card for entry 4083152

Structure parameters

• Formula: C91 H101 B2 N10 O Ru
• Calculated formula: C91 H101 B2 N10 O Ru
• SMILES: [Ru]1234([n]5c(cccc5N5C=2N(C=C5)CCCC)CN2C1N(C=C2)CCCC)[n]1c(N2C=3N(C=C2)CCCC)cccc1CN1C=4N(C=C1)CCCC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Ruthenium Complexes Bearing Unsymmetric CNC′ Pincer Ligands: Molecular Structures and Electronic Properties
• Authors of publication: Naziruddin, Abbas Raja; Kuo, Chia-Liang; Lin, Wan-Jung; Lo, Wei-Hao; Lee, Chen-Shiang; Sun, Bian-Jian; Chang, A. Hsiu Hwa; Hwang, Wen-Shu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2575
• a: 11.3595 ± 0.0007 Å
• b: 13.9519 ± 0.0009 Å
• c: 26.7829 ± 0.0016 Å
• α: 97.677 ± 0.001°
• β: 93.471 ± 0.002°
• γ: 98.738 ± 0.002°
• Cell volume: 4143.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No