Information card for entry 7720820

Structure parameters

• Formula: C22 H29.5 Cl F12 N4.5 O3 P2 Re
• Calculated formula: C22 H29.5 Cl F12 N4.5 O3 P2 Re
• Title of publication: Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)₃X complexes.
• Authors of publication: Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 5197 - 5209
• a: 18.1497 ± 0.001 Å
• b: 13.5754 ± 0.0009 Å
• c: 12.6756 ± 0.0008 Å
• α: 90°
• β: 96.113 ± 0.003°
• γ: 90°
• Cell volume: 3105.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No