Information card for entry 2222506

Structure parameters

• Chemical name: Bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>)(μ-<i>L</i>-malato-κ^4^<i>O</i>^1^,<i>O</i>^2^: <i>O</i>^4^,<i>O</i>^4'^)dinickel(II) bis(perchlorate) monohydrate
• Formula: C36 H78 Cl2 N8 Ni2 O14
• Calculated formula: C36 H78 Cl2 N8 Ni2 O14
• Title of publication: Bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(μ-<small>L</small>-malato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^4'^)dinickel(II) bis(perchlorate) monohydrate
• Authors of publication: Ou, Guang-Chuan; Zhou, Qiang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m728
• a: 13.562 ± 0.002 Å
• b: 18.984 ± 0.002 Å
• c: 19.35 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4981.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes