Information card for entry 2216292

Structure parameters

• Chemical name: Poly[[(μ~4~-naphthalene-1,4-dicarboxylato- κ^4^<i>O</i>:<i>O</i>:<i>O</i>:<i>O</i>')(μ~2~-naphthalene-1,4- dicarboxylato-κ^2^<i>O</i>:<i>O</i>')bis(pyrazino[2,3- <i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')dicopper(II)] tetrahydrate]
• Formula: C52 H36 Cu2 N8 O12
• Calculated formula: C52 H28 Cu2 N8 O12
• Title of publication: Poly[[(μ~4~-naphthalene-1,4-dicarboxylato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>:<i>O</i>')(μ~2~-naphthalene-1,4-dicarboxylato-κ^2^<i>O</i>:<i>O</i>')bis(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')dicopper(II)] tetrahydrate]
• Authors of publication: Che, Guang-Bo; Liu, Chun-Bo; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2984 - m2985
• a: 12.679 ± 0.005 Å
• b: 14.69 ± 0.006 Å
• c: 14.833 ± 0.007 Å
• α: 69.37 ± 0.02°
• β: 82.05 ± 0.02°
• γ: 65.13 ± 0.02°
• Cell volume: 2345.6 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes