Information card for entry 4083702

Structure parameters

• Formula: C28 H38 Cl2 O7 Ru S4
• Calculated formula: C28 H38 Cl2 O7 Ru S4
• SMILES: C(C=C(c1ccc(cc1)OC)c1ccc(cc1)OC)(OC)=[Ru]123(Cl)[S]4CC[S]1CCC[S]2CC[S]3CCC4.Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal‒Indolizine Zwitterion Complexes as a New Class of Organometallic Material: a Spectroscopic and Theoretical Investigation
• Authors of publication: Chung, Lai-Hon; Yeung, Chi-Fung; Ma, Dik-Lung; Leung, Chung-Hang; Wong, Chun-Yuen
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140618160703009
• a: 11.29 ± 0.0006 Å
• b: 12.1841 ± 0.0007 Å
• c: 12.927 ± 0.0007 Å
• α: 111.203 ± 0.005°
• β: 96.905 ± 0.005°
• γ: 101.132 ± 0.005°
• Cell volume: 1591.16 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No