Information card for entry 4346257

Structure parameters

• Formula: C62 H48 Mn4 N4 O14 S4
• Calculated formula: C62 H48 Mn4 N4 O14 S4
• SMILES: C(#[O])[Mn]12(C#[O])(C#[O])[n]3ccc(c4cc[n](cc4)[Mn]4(C#[O])(C#[O])(C#[O])[S](c5ccccc5)[Mn](C#[O])(C#[O])(C#[O])([n]5ccc(cc5)c5cc[n]([Mn](C#[O])(C#[O])([S]1c1ccccc1)(C#[O])[S]2c1ccccc1)cc5)[S]4c1ccccc1)cc3.O=C(C)C.O=C(C)C
• Title of publication: Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.
• Authors of publication: Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8406 - 8414
• a: 11.5167 ± 0.0005 Å
• b: 16.8489 ± 0.0008 Å
• c: 16.4263 ± 0.0006 Å
• α: 90°
• β: 93.549 ± 0.004°
• γ: 90°
• Cell volume: 3181.3 ± 0.2 ų
• Cell temperature: 213 ± 90 K
• Ambient diffraction temperature: 213 ± 90 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: 0.0864
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No