Information card for entry 1575689

Structure parameters

• Formula: C94 H103.62 Cu2 Mo O13.81 P4 S5
• Calculated formula: C89 H88.618 Cu2 Mo O11.309 P4 S2.5
• Title of publication: Heterodinuclear Cu(I)/Mo(VI) chemistry with bifunctional dibenzobarrelene ligands.
• Authors of publication: Chandima, A. M. Buddhika; Sgro, Griffyn; Hilditch, Sierra M.; Kaluarachchige Don, Umesh I.; Ward, Cassandra L.; Anderson, Dennis P.; Herman, Limor; Gelman, Dmitri; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 14716 - 14727
• a: 16.0253 ± 0.0014 Å
• b: 17.1157 ± 0.0014 Å
• c: 18.2784 ± 0.0015 Å
• α: 87.912 ± 0.003°
• β: 76.933 ± 0.003°
• γ: 75.879 ± 0.003°
• Cell volume: 4735.2 ± 0.7 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 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: 0.1717
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.2781
• Weighted residual factors for all reflections included in the refinement: 0.3127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No