Information card for entry 4346258

Structure parameters

• Formula: C104 H66 Mn4 N4 O12 S4
• Calculated formula: C104 H66 Mn4 N4 O12 S4
• SMILES: [Mn]12([S]([Mn]([S]1c1ccccc1)([n]1ccc(c3cc[n]([Mn]4([S]([Mn]([n]5ccc(c6cc[n]2cc6)cc5)([S]4c2ccccc2)(C#[O])(C#[O])C#[O])c2ccccc2)(C#[O])(C#[O])C#[O])cc3)cc1)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O].c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccc3cccc4ccc1c2c34
• 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: 10.6699 ± 0.0006 Å
• b: 35.774 ± 0.003 Å
• c: 13.2056 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5040.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 1 21
• Hall space group symbol: P 2c
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.3701
• Weighted residual factors for all reflections included in the refinement: 0.3963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No