Information card for entry 7015151

Structure parameters

• Formula: C26 H24 Cl Cu N3 P S2
• Calculated formula: C26 H24 Cl Cu N3 P S2
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]=C(NC)N/N=C(c1sccc1)\C)Cl
• Title of publication: Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes.
• Authors of publication: Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 13
• Pages of publication: 3219 - 3228
• a: 10.5576 ± 0.0011 Å
• b: 11.0223 ± 0.0012 Å
• c: 13.6843 ± 0.0014 Å
• α: 70.642 ± 0.001°
• β: 72.35 ± 0.001°
• γ: 63.754 ± 0.001°
• Cell volume: 1324.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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 all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No