Information card for entry 4336057

Structure parameters

• Formula: C6 H6 Cr N4 S2
• Calculated formula: C6 H6 Cr N4 S2
• SMILES: [Cr](N=C=S)(N=C=S)([N]#CC)[N]#CC
• Title of publication: First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition
• Authors of publication: Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10583 - 10594
• a: 9.08966 ± 0.00013 Å
• b: 9.16685 ± 0.00011 Å
• c: 12.6894 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1057.33 ± 0.03 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 1.301
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.699768 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes