Information card for entry 1569073

Structure parameters

• Formula: C114 H122 Cu2 Mo2 N14 O12 Si
• Calculated formula: C114 H122 Cu2 Mo2 N14 O12 Si
• 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: 20.546 ± 0.005 Å
• b: 21.591 ± 0.007 Å
• c: 25.679 ± 0.007 Å
• α: 90°
• β: 109.253 ± 0.006°
• γ: 90°
• Cell volume: 10754 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No