Information card for entry 7057482

Structure parameters

• Formula: C54 H52 Br2 Cu2 Fe2 N2 O2 P2
• Calculated formula: C54 H52 Br2 Cu2 Fe2 N2 O2 P2
• Title of publication: Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline
• Authors of publication: Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11450
• a: 8.7044 ± 0.0002 Å
• b: 10.3913 ± 0.0003 Å
• c: 14.6913 ± 0.0004 Å
• α: 71.924 ± 0.0008°
• β: 76.6777 ± 0.001°
• γ: 76.9869 ± 0.0009°
• Cell volume: 1212.17 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No