Information card for entry 7058310

Structure parameters

• Formula: C34 H23 Mn2 N2 O11 S2
• Calculated formula: C34 H26 Mn2 N2 O11 S2
• Title of publication: Self-assembly of manganese(i) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies
• Authors of publication: Kumar, Udit; Jose, Shilpa; Divya, Dhanaraj; Vidhyapriya, Pitchavel; Sakthivel, Natarajan; Manimaran, Bala.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7520
• a: 11.6906 ± 0.0002 Å
• b: 14.7229 ± 0.0003 Å
• c: 20.8244 ± 0.0004 Å
• α: 90°
• β: 104.952 ± 0.002°
• γ: 90°
• Cell volume: 3462.93 ± 0.12 ų
• Cell temperature: 200 ± 0.14 K
• Ambient diffraction temperature: 200 ± 0.14 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: 0.0453
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No