Information card for entry 7217682

Structure parameters

• Formula: C22 H20 N2 Ni O4 S4
• Calculated formula: C22 H20 N2 Ni O4 S4
• SMILES: [Ni]12([S]=C(N(Cc3ccco3)Cc3ccco3)S1)[S]=C(N(Cc1ccco1)Cc1ccco1)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: 5.6942 ± 0.0009 Å
• b: 18.8463 ± 0.0014 Å
• c: 10.81 ± 0.0007 Å
• α: 90°
• β: 90.696 ± 0.009°
• γ: 90°
• Cell volume: 1160 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No