Information card for entry 7052847

Structure parameters

• Formula: C24 H40 Ni O8 S8
• Calculated formula: C24 H40 Ni O8 S8
• SMILES: C1COCCOCCOCCOCCSC2=C(S[Ni]3(SC4=C(S3)SCCOCCOCCOCCOCCS4)S2)S1
• Title of publication: Dithiolene complexes as metallo-ligands: a crown-ether approach
• Authors of publication: Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 638
• a: 9.1918 ± 0.0004 Å
• b: 9.5486 ± 0.0004 Å
• c: 10.6697 ± 0.0004 Å
• α: 67.459 ± 0.001°
• β: 74.151 ± 0.002°
• γ: 84.463 ± 0.002°
• Cell volume: 832.01 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No