Information card for entry 1556965

Structure parameters

• Formula: C56 H68 Cl4 Cu N4 O9
• Calculated formula: C112 Cl8 Cu2 N8 O17.33
• Title of publication: Crystal Structures and Luminescence Spectra of Transition Metal Complexes of Rhodamine 6G: R2[CuCl4].3H2O and R2[MnCl4].(EtOH)0.5 [R = 9-(2-Ethoxycarbonyl)phenyl-3,6-bis(ethylamino)-2,7-dimethylxanthylium]
• Authors of publication: Liu, Cai-Ming; Xiong, Ren-Gen; You, Xiao-Zeng; Chen, Wei
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 883 - 890
• a: 28.271 ± 0.007 Å
• b: 14.829 ± 0.002 Å
• c: 15.892 ± 0.003 Å
• α: 90°
• β: 117.29 ± 0.01°
• γ: 90°
• Cell volume: 5921 ± 2 ų
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• 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: 0.1958
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.2923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No