Information card for entry 7052845

Structure parameters

• Formula: C24 H40 Na Ni O8 S8
• Calculated formula: C24 H40 Na Ni O8 S8
• SMILES: [Ni]12(SC3=C(S1)SCCOCCOCCOCCOCCS3)SC1=C(S2)SCC[O]2CC[O]3CC[O](CCOCCS1)[Na]1234[O]5CC[O]1CC[O]4CCSC(=C(S1)SCCOCC5)S[Ni]12SC1=C(S2)SCC[O]2CC[O]3CC[O](CCOCCS1)[Na]23
• 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: 23.6588 ± 0.0014 Å
• b: 10.192 ± 0.0006 Å
• c: 17.5265 ± 0.0012 Å
• α: 90°
• β: 127.742 ± 0.002°
• γ: 90°
• Cell volume: 3342 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0829
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No