Information card for entry 8105874

Structure parameters

• Chemical name: bis [diaqua (1,10-phenanthroline-<i>κ</i>^2^<i>N</i>, <i>N'</i> ) -copper(II) ] diphenylphosphopentamolybdate dihydrate, [{Cu(H~2~O) ~2~ (phen) }~2~{(C~6~H~5~PO~3~) ~2~Mo~5~O~15~}]\χdot2H~2~O
• Formula: C36 H38 Cu2 Mo5 N4 O27 P2
• Calculated formula: C36 H38 Cu2 Mo5 N4 O27 P2
• Title of publication: Crystal structure of bis[diaqua(1,10-phenanthroline-κ 2 N, N′)-copper(II)]diphenylphosphopentamolybdate dihydrate, C36H38Cu2Mo5N4O27P2
• Authors of publication: Li, Dong-Dong; Jiang, Hui; Jia, Bing-Xin; Yuan, Yuan; Shi, Ye-Shun; Ma, Feng-Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 861 - 862
• a: 15.6362 ± 0.0011 Å
• b: 13.2418 ± 0.0009 Å
• c: 23.6641 ± 0.0014 Å
• α: 90°
• β: 98.858 ± 0.006°
• γ: 90°
• Cell volume: 4841.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No