Information card for entry 7021934

Structure parameters

• Formula: C21 H13 Br N3 O3 Re
• Calculated formula: C21 H13 Br N3 O3 Re
• Title of publication: The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.
• Authors of publication: Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14100 - 14114
• a: 10.6245 ± 0.0002 Å
• b: 11.8726 ± 0.0002 Å
• c: 30.9574 ± 0.0004 Å
• α: 90°
• β: 90.701 ± 0.002°
• γ: 90°
• Cell volume: 3904.69 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0453
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No