Information card for entry 2221987

Structure parameters

• Chemical name: (5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene- κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)(thiocyanato- κS)nickel(II) perchlorate monohydrate
• Formula: C17 H34 Cl N5 Ni O5 S
• Calculated formula: C17 H34 Cl N5 Ni O5 S
• Title of publication: (5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)(thiocyanato-κ<i>S</i>)nickel(II) perchlorate monohydrate
• Authors of publication: Bi, Jian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m668
• a: 7.2678 ± 0.0011 Å
• b: 8.9998 ± 0.0013 Å
• c: 19.513 ± 0.002 Å
• α: 84.143 ± 0.001°
• β: 87.005 ± 0.002°
• γ: 67.348 ± 0.001°
• Cell volume: 1171.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes