Information card for entry 2220311

Structure parameters

• Chemical name: Poly[[bis[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]tetra- μ-cyanido-tetracyanidodicopper(II)molybdenum(IV)] tetrahydrate]
• Formula: C32 H68 Cu2 Mo N20 O8
• Calculated formula: C32 H68 Cu2 Mo N20 O8
• Title of publication: Poly[bis[3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]tetra-μ-cyanido-tetracyanidodicopper(II)molybdenum(IV)] tetrahydrate]
• Authors of publication: Zhou, Hu; Chen, Ying-Ying; Liu, Wen-Yan; Yuan, Ai-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1528
• a: 20.0707 ± 0.001 Å
• b: 20.0707 ± 0.001 Å
• c: 15.438 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6218.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes