Information card for entry 7708434

Structure parameters

• Formula: C34 H33 N7 Ni O4 S2
• Calculated formula: C34 H33 N7 Ni O4 S2
• SMILES: [Ni]123(OC(=NN1C(=S)SCC)c1ccncc1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.O.O.OC
• Title of publication: Antiproliferative activity and electrochemical oxygen evolution by Ni(ii) complexes of N′-(aroyl)-hydrazine carbodithioates
• Authors of publication: Chaurasia, R.; Pandey, Shivendra Kumar; Singh, Devesh Kumar; Bharty, M. K.; Ganesan, Vellaichamy; Hira, S. K.; Manna, P. P.; Bharti, A.; Butcher, Ray J.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.8202 ± 0.0009 Å
• b: 12.6519 ± 0.0012 Å
• c: 12.8207 ± 0.0015 Å
• α: 104.095 ± 0.009°
• β: 96.477 ± 0.008°
• γ: 95.991 ± 0.007°
• Cell volume: 1675.5 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No