Information card for entry 4342222

Structure parameters

• Formula: C40 H47 Cu Hg N3 O8
• Calculated formula: C40 H47 Cu Hg N3 O8
• Title of publication: Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties.
• Authors of publication: Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1293 - 1299
• a: 10.3212 ± 0.0009 Å
• b: 13.1358 ± 0.0013 Å
• c: 16.0182 ± 0.0017 Å
• α: 66.804 ± 0.01°
• β: 79.65 ± 0.008°
• γ: 87.942 ± 0.007°
• Cell volume: 1962.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1162
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No