Information card for entry 7718964

Structure parameters

• Common name: Methylammonium cobalt thiocyanate
• Formula: C8 Co2 N8 S8
• Calculated formula: C8 Co2 N8 S8
• Title of publication: Effects of the anion exchange between I^- and NCS^- coordinated to Co²⁺-centered tetrahedra in the organic-inorganic hybrid halides.
• Authors of publication: Ohmi, Takuya; Ito, Ryuju; Nikolaev, Sergey A.; Fujii, Kotaro; Oswald, Iain W. H.; Matsushima, Koki; Nakamura, Yuiga; Neilson, James R.; Yashima, Masatomo; Azuma, Masaki; Yamamoto, Takafumi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 27
• Pages of publication: 10773 - 10780
• a: 9.6359 ± 0.0001 Å
• b: 9.6359 ± 0.0001 Å
• c: 9.6359 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 894.699 ± 0.016 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9596
• Diffraction radiation wavelength: 0.4132 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No