Information card for entry 7063693

Structure parameters

• Formula: C14 H26 Cl2 Mo N4 O3
• Calculated formula: C14 H26 Cl2 Mo N4 O3
• Title of publication: Cyclam-based molybdenum carbonyl complexes as a novel class of cytotoxic agents
• Authors of publication: Teles, Tamara; Fernandes, Auguste; Ferreira, Maria João; Côrte-Real, Leonor; Marques, Fernanda; Correia, João D. G.; Alves, Luis G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 5766 - 5772
• a: 8.933 ± 0.001 Å
• b: 17.321 ± 0.002 Å
• c: 13.139 ± 0.002 Å
• α: 90°
• β: 104.667 ± 0.005°
• γ: 90°
• Cell volume: 1966.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No