Information card for entry 4336064

Structure parameters

• Formula: C7 H4 Fe N6 S2
• Calculated formula: C14 H4 Fe N6 S2
• 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: 5.5742 ± 0.0001 Å
• b: 6.13885 ± 0.00012 Å
• c: 11.4552 ± 0.0003 Å
• α: 78.4226 ± 0.0008°
• β: 80.0358 ± 0.0008°
• γ: 78.2382 ± 0.0015°
• Cell volume: 372.365 ± 0.014 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.346
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.700154 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes