Information card for entry 4519111

Structure parameters

• Formula: C18 H8 Cl2 O12 Os3 S
• Calculated formula: C18 H8 Cl2 O12 Os3 S
• SMILES: [OsH]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([S]2c1ccc(cc1)C(=O)O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl
• Title of publication: Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies
• Authors of publication: Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 43
• Pages of publication: 29045 - 29053
• a: 8.4854 ± 0.0005 Å
• b: 12.0178 ± 0.0006 Å
• c: 12.884 ± 0.0007 Å
• α: 81.639 ± 0.003°
• β: 77.714 ± 0.003°
• γ: 76.102 ± 0.003°
• Cell volume: 1240.01 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No