Information card for entry 7217681

Structure parameters

• Formula: C18 H28 N2 Ni O4 S4
• Calculated formula: C18 H28 N2 Ni O4 S4
• SMILES: [Ni]12([S]=C(N3CCC(CC3)C(=O)OCC)S1)[S]=C(N1CCC(CC1)C(=O)OCC)S2
• Title of publication: Intermolecular anagostic interactions in group 10 metal dithiocarbamates
• Authors of publication: Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 9299
• a: 6.264 ± 0.0013 Å
• b: 6.4556 ± 0.0014 Å
• c: 14.969 ± 0.003 Å
• α: 78.985 ± 0.017°
• β: 86.378 ± 0.016°
• γ: 86.602 ± 0.017°
• Cell volume: 592.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No