Information card for entry 7057483

Structure parameters

• Formula: C54 H52 Ag2 Cl2 Fe2 N2 O2 P2
• Calculated formula: C54 H52 Ag2 Cl2 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: 11.4719 ± 0.0003 Å
• b: 12.1037 ± 0.0003 Å
• c: 17.9417 ± 0.0004 Å
• α: 90°
• β: 100.163 ± 0.0009°
• γ: 90°
• Cell volume: 2452.16 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No