Information card for entry 4337420

Structure parameters

• Formula: C164.5 H194 Mo4 N4 O33.5 P2
• Calculated formula: C164.72 H184.41 Mo4 N4 O33.77 P2
• 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: 18.958 ± 0.0003 Å
• b: 21.1324 ± 0.0006 Å
• c: 22.6782 ± 0.0004 Å
• α: 75.049 ± 0.002°
• β: 82.216 ± 0.002°
• γ: 63.834 ± 0.002°
• Cell volume: 7875.9 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No