Information card for entry 4336188

Structure parameters

• Formula: C94 H98 Cl Cr O4
• Calculated formula: C94 H98 Cl Cr O4
• Title of publication: 3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand
• Authors of publication: Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11126 - 11135
• a: 18.4411 ± 0.0006 Å
• b: 16.1932 ± 0.0006 Å
• c: 26.2278 ± 0.0009 Å
• α: 90°
• β: 105.838 ± 0.001°
• γ: 90°
• Cell volume: 7534.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.1556
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9914
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No