Information card for entry 2236017

Structure parameters

• Common name: Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate
• Chemical name: Diaqua-1κ<i>O</i>,3κ<i>O</i>-di-μ-formato- 1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ-2,2'-[propane- 1,3-diylbis(nitrilomethanylylidene)]diphenolato}- 1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>'; 2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'- 2-cadmium(II)-1,3-dinickel(II) dihydrate
• Formula: C36 H42 Cd N4 Ni2 O12
• Calculated formula: C36 H42 Cd N4 Ni2 O12
• Title of publication: Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate
• Authors of publication: Zhang, Jian-Feng; Wan, Bo; Liu, Wen; Shi, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1122 - m1123
• a: 9.6769 ± 0.0009 Å
• b: 10.6596 ± 0.001 Å
• c: 10.7996 ± 0.001 Å
• α: 72.851 ± 0.001°
• β: 63.551 ± 0.001°
• γ: 81.478 ± 0.001°
• Cell volume: 952.87 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes