Information card for entry 2212409

Structure parameters

• Chemical name: catena-Poly[[tetrakis(μ-2,4-dichlorophenoxyacetato-κ^2^O:O')dicopper(II)]- μ-pyrazine-κ^2^N:N']
• Formula: C36 H24 Cl8 Cu2 N2 O12
• Calculated formula: C36 H24 Cl8 Cu2 N2 O12
• SMILES: [Cu]1234([Cu]([O]=C(O1)COc1ccc(Cl)cc1Cl)(OC(=[O]2)COc1c(Cl)cc(Cl)cc1)([O]=C(O3)COc1c(Cl)cc(Cl)cc1)(OC(=[O]4)COc1c(Cl)cc(Cl)cc1)[n]1cc[n](cc1)[Cu]1234[Cu]([O]=C(O3)COc3c(Cl)cc(Cl)cc3)(OC(=[O]2)COc2c(Cl)cc(Cl)cc2)([O]=C(O1)COc1c(Cl)cc(Cl)cc1)OC(=[O]4)COc1c(Cl)cc(Cl)cc1)[n]1ccncc1
• Title of publication: <i>catena</i>-Poly[[tetrakis(μ-2,4-dichlorophenoxyacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Huang, Ping-Yun; Wang, Jing-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m645 - m646
• a: 9.8662 ± 0.0003 Å
• b: 10.961 ± 0.0004 Å
• c: 11.0262 ± 0.0003 Å
• α: 63.467 ± 0.002°
• β: 78.764 ± 0.002°
• γ: 72.876 ± 0.002°
• Cell volume: 1016.73 ± 0.06 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: 0.0398
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes