Information card for entry 7054389

Structure parameters

• Formula: C35 H29 Cl N3 Ni O P S
• Calculated formula: C35 H29 Cl N3 Ni O P S
• SMILES: c12ccc(cc1C(=[N]1N=C(NCC=C)S[Ni]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)Cl
• Title of publication: Electrochemistry and structural properties of new mixed ligand nickel(ii) complexes based on thiosemicarbazone
• Authors of publication: Güveli, Şükriye; Koca, Atıf; Özdemir, Namık; Bal-Demirci, Tülay; Ülküseven, Bahri
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 11
• Pages of publication: 5582
• a: 16.6948 ± 0.0003 Å
• b: 10.9984 ± 0.0002 Å
• c: 16.9011 ± 0.0004 Å
• α: 90°
• β: 92.44 ± 0.002°
• γ: 90°
• Cell volume: 3100.5 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No