Information card for entry 2234241

Structure parameters

• Chemical name: <i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate
• Formula: C18 H41 Cl N4 Ni O7
• Calculated formula: C18 H41 Cl N4 Ni O7
• Title of publication: <i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate
• Authors of publication: Roy, Tapashi G.; Palit, Debashis; Nath, Babul Chandra; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m525 - m526
• a: 9.4041 ± 0.0002 Å
• b: 15.9593 ± 0.0004 Å
• c: 16.0721 ± 0.0006 Å
• α: 90°
• β: 96.534 ± 0.003°
• γ: 90°
• Cell volume: 2396.48 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes