Information card for entry 4502385

Structure parameters

• Formula: C6 H24 Mn Mo N6 S4
• Calculated formula: C6 H24 Mn Mo N6 S4
• SMILES: C1[NH2][Mn]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)[NH2]C1.[Mo](=S)(=S)([S-])[S-]
• Title of publication: Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)
• Authors of publication: Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 669
• a: 14.305 ± 0.008 Å
• b: 14.786 ± 0.008 Å
• c: 16.348 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3458 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No