Information card for entry 2015399

Structure parameters

• Chemical name: [4-(2-diphenylphosphino-α-ethoxybenzyl-κP)-S-methyl-1-(4-oxo-2- pentyl-κO)thiosemicarbazido-κ^2^N^1^,N^4^]nickel(II)
• Formula: C28 H30 N3 Ni O2 P S
• Calculated formula: C28 H30 N3 Ni O2 P S
• SMILES: [Ni]123N(C(=N[N]3=C(C)C=C(O2)C)SC)C(OCC)c2c([P]1(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-Diphenylphosphino-α-ethoxybenzyl-κ<i>P</i>)-<i>S</i>-methyl-1-(4-oxidopent-3-en-4-ylidene-κ<i>O</i>)thiosemicarbazido-κ^2^<i>N</i>^1^,<i>N</i>^4^]nickel(II)
• Authors of publication: Drašković, Bojana M.; Bogdanović, Goran A.; Leovac, Vukadin M.; Brčeski, Ilija D.; Poleti, Dejan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m319 - m322
• a: 11.974 ± 0.003 Å
• b: 12.531 ± 0.002 Å
• c: 20.827 ± 0.007 Å
• α: 89.81 ± 0.02°
• β: 73.56 ± 0.02°
• γ: 68.26 ± 0.02°
• Cell volume: 2765.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes