Information card for entry 8104576

Structure parameters

• Formula: C20 H48 Cl2 N4 Ni O10 S2
• Calculated formula: C20 H48 Cl2 N4 Ni O10 S2
• Title of publication: Crystal structure of [meso-5,7,7,12,14,14,-hexamethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) diperchlorate – dimethylsulphoxide (1/2), C20H48Cl2N4NiO10S2
• Authors of publication: Rabi, Saswata; Dey, Lucky; Palit, Debashis; Dey, Benu Kumar; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1243 - 1245
• a: 8.657 ± 0.002 Å
• b: 15.233 ± 0.004 Å
• c: 11.956 ± 0.003 Å
• α: 90°
• β: 102.737 ± 0.002°
• γ: 90°
• Cell volume: 1537.9 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.0251
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No