Information card for entry 4342889

Structure parameters

• Formula: C38 H36 Cl3 Cr F6 N2 O6 P
• Calculated formula: C38 H36 Cl3 Cr F6 N2 O6 P
• Title of publication: Mono- and bimetallic zwitterionic chromium(0) and tungsten(0) allenyls.
• Authors of publication: Giner, Elena A.; Santiago, Alicia; Gómez-Gallego, Mar; Ramírez de Arellano, Carmen; Poulten, Rebecca C.; Whittlesey, Michael K.; Sierra, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5450 - 5461
• a: 11.9124 ± 0.0003 Å
• b: 16.7703 ± 0.0004 Å
• c: 22.7908 ± 0.001 Å
• α: 76.84 ± 0.003°
• β: 80.306 ± 0.003°
• γ: 71.624 ± 0.002°
• Cell volume: 4184.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1498
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for significantly intense reflections: 0.2272
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No