Information card for entry 2239002

Structure parameters

• Chemical name: Poly[[diaquadeca-μ~2~-cyanido-κ^20^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-bis(μ~2~-5-methylpyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(5-methylpyrimidine-κ<i>N</i>)tricopper(II)ditungstate(V)] dihydrate]
• Formula: C36 H32 Cu3 N24 O4 W2
• Calculated formula: C36 H32 Cu3 N24 O4 W2
• Title of publication: Poly[[diaquadeca-μ~2~-cyanido-κ^20^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-bis(μ~2~-5-methylpyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(5-methylpyrimidine-κ<i>N</i>)tricopper(II)ditungstate(V)] dihydrate]
• Authors of publication: Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m47 - m48
• a: 7.5953 ± 0.0004 Å
• b: 11.8232 ± 0.0007 Å
• c: 14.7017 ± 0.0008 Å
• α: 79.614 ± 0.001°
• β: 84.824 ± 0.002°
• γ: 73.09 ± 0.001°
• Cell volume: 1241.44 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes