Information card for entry 7709258

Structure parameters

• Formula: C83 H90 Cl6 N8 O8 P2 Re2
• Calculated formula: C83 H90 Cl6 N8 O8 P2 Re2
• Title of publication: The reaction of rhenium nitrosyl with a sterically hindered NHC-carbene.
• Authors of publication: Grieco, G.; Blacque, O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1521 - 1526
• a: 14.0861 ± 0.0004 Å
• b: 12.5731 ± 0.0003 Å
• c: 26.9707 ± 0.0006 Å
• α: 90°
• β: 101.918 ± 0.003°
• γ: 90°
• Cell volume: 4673.7 ± 0.2 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No