Information card for entry 4337421

Structure parameters

• Formula: C160.5 H177 N4 O29 P2 W4
• Calculated formula: C150.06 H162.125 N3.786 O29.09 P1.998 W4
• Title of publication: Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.
• Authors of publication: McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1721 - 1728
• a: 18.4066 ± 0.0004 Å
• b: 20.8649 ± 0.0002 Å
• c: 21.3598 ± 0.0005 Å
• α: 88.312 ± 0.001°
• β: 65.145 ± 0.002°
• γ: 83.726 ± 0.001°
• Cell volume: 7397.6 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No