Information card for entry 4345919

Structure parameters

• Formula: C171 H147 Cl3 N20 O12 Ru4
• Calculated formula: C171 H147 Cl3 N20 O12 Ru4
• Title of publication: Calixsmaragdyrin: A Versatile Ligand for Coordination Complexes.
• Authors of publication: Chatterjee, Tamal; Molnar, Brian; Theophall, G. G.; Lee, Way-Zen; Lakshmi, K. V.; Ravikanth, Mangalampalli
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 13.5619 ± 0.0006 Å
• b: 17.4742 ± 0.0009 Å
• c: 18.5866 ± 0.0008 Å
• α: 109.774 ± 0.003°
• β: 101.01 ± 0.004°
• γ: 94.444 ± 0.004°
• Cell volume: 4020.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1702
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No