Information card for entry 7213718

Structure parameters

• Formula: C32 H28 Cl4 Cu2 N8 O20
• Calculated formula: C32 H28 Cl4 Cu2 N8 O20
• SMILES: C1(N[O]2[Cu]3([O]=1)([n]1ccccc1c1[n]3cccc1)[O]1[Cu]32([n]2ccccc2c2[n]3cccc2)[O]=C(N1)c1cc[nH+]cc1)c1cc[nH+]cc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers
• Authors of publication: Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1904
• a: 8.156 ± 0.0002 Å
• b: 10.4612 ± 0.0003 Å
• c: 12.4373 ± 0.0004 Å
• α: 70.127 ± 0.001°
• β: 84.695 ± 0.002°
• γ: 79.552 ± 0.002°
• Cell volume: 980.88 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No