Information card for entry 7004311

Structure parameters

• Formula: C7 H6 Br N2 O3 Re
• Calculated formula: C7 H6 Br N2 O3 Re
• Title of publication: Substitution reactions with [ReBr2(CO)2(NCCH3)2]−: a convenient route to complexes with the cis-[Re(CO)2]+ core
• Authors of publication: Kromer, Lukas; Spingler, Bernhard; Alberto, Roger
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5800 - 5806
• a: 5.9303 ± 0.0004 Å
• b: 7.8984 ± 0.0004 Å
• c: 11.8361 ± 0.0008 Å
• α: 90°
• β: 102.334 ± 0.008°
• γ: 90°
• Cell volume: 541.61 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No