Information card for entry 7232207

Structure parameters

• Common name: DH194_transp_200K
• Formula: C34 H37 Cl7 K O6 S6 Zn3
• Calculated formula: C34 H37 Cl7 K O6 S6 Zn3
• Title of publication: Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations
• Authors of publication: Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1423
• a: 13.7557 ± 0.0004 Å
• b: 13.7884 ± 0.0004 Å
• c: 14.2273 ± 0.0004 Å
• α: 94.417 ± 0.002°
• β: 112.471 ± 0.001°
• γ: 105.827 ± 0.001°
• Cell volume: 2348.67 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No