Information card for entry 1569072

Structure parameters

• Formula: C55 H65 Cu F6 N5 O4 P
• Calculated formula: C55 H65 Cu F6 N5 O4 P
• Title of publication: Studies Relevant to the Functional Model of Mo-Cu CODH: In Situ Reactions of Cu(I)-L Complexes with Mo(VI) and Synthesis of Stable Structurally Characterized Heterotetranuclear Mo^VI₂Cu^I₂ Complex.
• Authors of publication: Kaluarachchige Don, Umesh I.; Almaat, Ahmad S.; Ward, Cassandra L.; Groysman, Stanislav
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 3644
• a: 13.631 ± 0.0005 Å
• b: 14.463 ± 0.0006 Å
• c: 15.8288 ± 0.0006 Å
• α: 112.847 ± 0.001°
• β: 92.606 ± 0.001°
• γ: 109.383 ± 0.001°
• Cell volume: 2657.65 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No