Information card for entry 8102138

Structure parameters

• Chemical name: (isothiocyanato)(2-pyridinecarboxaldehydebenzoyl-hydrazonato)copper(I)
• Formula: C14 H10 Cu N4 O S
• Calculated formula: C14 H10 Cu N4 O S
• Title of publication: Crystal structure of (isothiocyanato)(2-pyridinecarboxaldehydebenzoyl- hydrazonato)copper(I), Cu(C~13~H~10~N~3~O)(NCS)
• Authors of publication: Batistakis, Chrysostomos; Gan, Yu; Cardin, Christine J.; Paschalidis, Damianos G.; Kavounis, Constantinos A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 251 - 252
• a: 8.837 ± 0.001 Å
• b: 15.625 ± 0.002 Å
• c: 10.366 ± 0.001 Å
• α: 90°
• β: 103.362 ± 0.012°
• γ: 90°
• Cell volume: 1392.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No