Information card for entry 7038673

Structure parameters

• Formula: C24 H32 Cl4 K2 Ni O5 S4
• Calculated formula: C24 H32 Cl4 K2 Ni O5 S4
• SMILES: c12c(ccc(c1S[Ni]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.[K+].[K+].O.O1CCCC1.C1OCCC1.O.O1CCCC1
• Title of publication: Unprecedented layered coordination polymers of dithiolene group 10 metals: magnetic and electrical properties.
• Authors of publication: Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6696 - 6701
• a: 9.064 ± 0.003 Å
• b: 14.446 ± 0.005 Å
• c: 26.473 ± 0.004 Å
• α: 90°
• β: 97.273 ± 0.014°
• γ: 90°
• Cell volume: 3438.4 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.124
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No