Information card for entry 2019776

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] dihydrate]
• Formula: C26 H20 Bi Cu N5 O14
• Calculated formula: C26 H20 Bi Cu N5 O14
• SMILES: [Cu]1(OC2=[O][Bi]3456(OC(=O)c7[n]4c2ccc7)(OC(=O)c2[n]5c(ccc2)C(=O)[O]3[Bi]2345([O]=C(O[Cu]7[n]8c9c(ccc8)ccc8ccc[n]7c98)c7[n]4c(ccc7)C(=O)O2)(OC(=O)c2[n]5c(ccc2)C([O]63)=O)ON(=O)=O)ON(=O)=O)([OH2])[n]2c3c(ccc2)ccc2ccc[n]1c32.O.O.O.O.O
• Title of publication: A linear heterometallic bismuth‒copper coordination polymer containing two types of organic ligands
• Authors of publication: Yue, Zi-Long; Feng, Yu-Quan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• a: 9.1376 ± 0.0008 Å
• b: 12.1229 ± 0.0011 Å
• c: 13.4135 ± 0.0012 Å
• α: 86.649 ± 0.002°
• β: 87.233 ± 0.002°
• γ: 70.502 ± 0.001°
• Cell volume: 1397.6 ± 0.2 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: 0.0661
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes