Information card for entry 2242661

Structure parameters

• Chemical name: <i>trans</i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) thiocyanate
• Formula: C6 H16 Co N7 O2 S2
• Calculated formula: C6 H16 Co N7 O2 S2
• Title of publication: Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)
• Authors of publication: Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1526 - 1531
• a: 16.3222 ± 0.0007 Å
• b: 16.0137 ± 0.0006 Å
• c: 11.1284 ± 0.0004 Å
• α: 90°
• β: 110.26 ± 0.0013°
• γ: 90°
• Cell volume: 2728.77 ± 0.19 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes