Information card for entry 4514948

Structure parameters

• Formula: C34 H26 Mn2 N2 O11 Se2
• Calculated formula: C34 H26 Mn2 N2 O11 Se2
• SMILES: [Se]1([Mn]2([Se]([Mn]1([n]1ccc(cc1)C(=O)OCCOCCOC(=O)c1cc[n]2cc1)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O])c1ccccc1
• Title of publication: Selenolato-Bridged Manganese(I)-Based Dinuclear Metallacycles as Potential Anticancer Agents and Photo-CORMs
• Authors of publication: Kumar, Udit; Roy, Sritama; Jha, Raushan Kumar; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.
• Journal of publication: ACS Omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 1923
• a: 11.7532 ± 0.0006 Å
• b: 14.9001 ± 0.0007 Å
• c: 20.9384 ± 0.0014 Å
• α: 90°
• β: 105.744 ± 0.007°
• γ: 90°
• Cell volume: 3529.2 ± 0.4 ų
• Cell temperature: 200 ± 0.14 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No