Information card for entry 2220010

Structure parameters

• Chemical name: Poly[[diaquadeca-μ-cyanido-hexacyanidobis(4-cyanopyridine)di- μ-pyrimidine-tricopper(II)ditungsten(V)] dihydrate]
• Formula: C36 H16 Cu3 N24 O4 W2
• Calculated formula: C36 H16 Cu3 N24 O4 W2
• Title of publication: Poly[[diaquadeca-μ-cyanido-hexacyanidobis(4-cyanopyridine)di-μ-pyrimidine-tricopper(II)ditungsten(V)] dihydrate]
• Authors of publication: Kaneko, Souhei; Tsunobuchi, Yoshihide; Nakabayashi, Koji; Ohkoshi, Shin-ichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1442 - m1443
• a: 7.2475 ± 0.0006 Å
• b: 15.4532 ± 0.0012 Å
• c: 20.856 ± 0.0016 Å
• α: 90°
• β: 90.057 ± 0.002°
• γ: 90°
• Cell volume: 2335.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes