Information card for entry 7718963

Structure parameters

• Formula: C4 H18 Co I4 N4 S
• Calculated formula: C4 H18 Co I4 N4 S
• 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: 10.469 ± 0.0009 Å
• b: 11.5048 ± 0.0009 Å
• c: 15.7129 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.5 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 299.98 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No