Information card for entry 2007346

Structure parameters

• Formula: C30 H28 N3 Ni O2 P S
• Calculated formula: C30 H28 N3 Ni O2 P S
• SMILES: [Ni]123N(C(=N[N]3=Cc3c(O2)cccc3)SC)C(OCC)c2c([P]1(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Transition Metal Complexes with Thiosemicarbazide-Based Ligands. 33. [4-(2-Diphenylphosphino-α-ethoxybenzyl-<i>P</i>)-3-methyl-1-salicylideneisothiosemicarbazido-<i>N</i>^1^,<i>N</i>^4^,<i>O</i>]nickel(II)
• Authors of publication: Bogdanović, Goran A.; Spasojević-de Biré, Anne; Prelesnik, Bogdan V.; Leovac, Vukadin M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 766 - 768
• a: 9.172 ± 0.0002 Å
• b: 12.2492 ± 0.0003 Å
• c: 12.94 ± 0.0003 Å
• α: 90.7376 ± 0.0005°
• β: 104.776 ± 0.0004°
• γ: 101.34 ± 0.0006°
• Cell volume: 1375.24 ± 0.06 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: 0.049
• Weighted residual factors for significantly intense reflections: 0.0986
• Goodness-of-fit parameter for significantly intense reflections: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No