Information card for entry 4325368

Structure parameters

• Formula: C15 H9 Cl O3 Re n3
• Calculated formula: C15 H9 Cl N3 O3 Re
• SMILES: [Re]1(Cl)([n]2ccccc2c2[n]1c1ccccc1[nH]2)(C#[O])(C#[O])C#[O]
• Title of publication: pH-Dependent Spectroscopic and Luminescent Properties, and Metal-Ion Recognition Studies of Re(I) Complexes Containing 2-(2'-Pyridyl)benzimidazole and 2-(2'-Pyridyl)benzimidazolate
• Authors of publication: Biing-Chiau Tzeng; Bo-So Chen; Chang-Kai Chen; Yuan-Ping Chang; Wen-Chian Tzeng; Tsung-Yi Lin; Gene-Hsiang Lee; Pi-Tai Chou; Yu-Jie Fu; A. Hsiu-Hua Chang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5379 - 5388
• a: 7.6232 ± 0.0002 Å
• b: 8.4654 ± 0.0002 Å
• c: 11.843 ± 0.0003 Å
• α: 90.7883 ± 0.0013°
• β: 95.1188 ± 0.0015°
• γ: 92.0589 ± 0.0016°
• Cell volume: 760.62 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0537
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No