Information card for entry 4109409

Structure parameters

• Formula: C24 H21 Cl N3 O3 Re S2
• Calculated formula: C24 H21 Cl N3 O3 Re S2
• SMILES: Cl[Re]1(C#[O])(C#[O])([n]2ccccc2c2[n]1c(c(n2C)c1cc(C)sc1C)c1cc(C)sc1C)C#[O]
• Title of publication: Metal Coordination-Assisted Near-Infrared Photochromic Behavior: A Large Perturbation on Absorption Wavelength Properties of N,N-Donor Ligands Containing Diarylethene Derivatives by Coordination to the Rhenium(I) Metal Center
• Authors of publication: Penny Ho-Man Lee; Chi-Chiu Ko; Nianyong Zhu; Vivian Wing-Wah Yam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6058 - 6059
• a: 23.414 ± 0.005 Å
• b: 15.225 ± 0.003 Å
• c: 15.071 ± 0.003 Å
• α: 90°
• β: 108.03 ± 0.03°
• γ: 90°
• Cell volume: 5109 ± 2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No