Information card for entry 7216079

Structure parameters

• Formula: C18 H24 N4 Ni O2 S2
• Calculated formula: C18 H24 N4 Ni O2 S2
• Title of publication: Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex
• Authors of publication: Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 25
• Pages of publication: 161
• a: 8.3237 ± 0.0001 Å
• b: 9.6149 ± 0.0001 Å
• c: 12.8717 ± 0.0001 Å
• α: 81.09 ± 0.001°
• β: 82.799 ± 0.001°
• γ: 84.601 ± 0.001°
• Cell volume: 1006.75 ± 0.018 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No