Information card for entry 7021719

Structure parameters

• Formula: C51.5 H36 Cl1.5 N3 O5 Re Se
• Calculated formula: C51.5 H36.5 Cl1.5 N3 O5 Re Se
• Title of publication: Rhenium(i) tricarbonyl complex of 5,20-bis(p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin: first X-ray structural characterization of metal complex of 21-selenaporphyrin.
• Authors of publication: Ghosh, Avijit; Gonnade, Rajesh; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10798 - 10806
• a: 23.2507 ± 0.0007 Å
• b: 14.6302 ± 0.0004 Å
• c: 25.544 ± 0.0007 Å
• α: 90°
• β: 93.682 ± 0.002°
• γ: 90°
• Cell volume: 8671.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No