Information card for entry 4318837

Structure parameters

• Common name: (CO)4Mo[(PPh2OCH2)2-nBu4Clx, 14c
• Formula: C76 H80 Mo O10 P2
• Calculated formula: C78 H82 Mo O10 P2
• SMILES: C(#[O])[Mo]1(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)OCc2cc3Cc4cccc(Cc5cc(CO[P]1(c1ccccc1)c1ccccc1)cc(Cc1cccc(Cc(c2)c3OCCCC)c1OCCCC)c5OCCCC)c4OCCCC.c1ccccc1
• Title of publication: Synthesis and Characterization of Diametrically Substituted Tetra-O-n-butylcalix[4]arene Ligands and Their Chelated Complexes of Titanium, Molybdenum, and Palladium
• Authors of publication: Daniel R. Evans; Mingsheng Huang; James C. Fettinger; Tracie L. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5986 - 6000
• a: 26.166 ± 0.009 Å
• b: 26.166 ± 0.009 Å
• c: 17.935 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10634 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No