Information card for entry 4336694

Structure parameters

• Formula: C46 H54 Co2 N10 S4
• Calculated formula: C46 H54 Co2 N10 S4
• SMILES: C(=N[Co]1(SC#[N][Co](N=C=S)(SC#[N]1)([n]1ccc(cc1)CC)([n]1ccc(cc1)CC)[n]1ccc(cc1)CC)([n]1ccc(cc1)CC)([n]1ccc(cc1)CC)[n]1ccc(cc1)CC)=S
• Title of publication: Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition
• Authors of publication: Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12947 - 12957
• a: 15.5182 ± 0.0009 Å
• b: 11.4066 ± 0.0004 Å
• c: 27.9992 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4956.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No