Information card for entry 7214597

Structure parameters

• Formula: C24 H34 N4 Ni S4
• Calculated formula: C24 H34 N4 Ni S4
• SMILES: C1(N(CCN(C)C)Cc2ccccc2)=[S][Ni]2([S]=C(N(CCN(C)C)Cc3ccccc3)S2)S1
• Title of publication: Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions
• Authors of publication: Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10255
• a: 6.545 ± 0.002 Å
• b: 10.393 ± 0.004 Å
• c: 11.114 ± 0.005 Å
• α: 75.24 ± 0.04°
• β: 74.79 ± 0.03°
• γ: 78.01 ± 0.03°
• Cell volume: 697.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.227
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No