Information card for entry 8101861

Structure parameters

• Chemical name: aquaphenanthroline(pyridine-2,6-dicarboxylato)cobalt(II) pyridine-2,6-dicarboxylic acid monosolvate tetrahydrate
• Formula: C26 H26 Co N4 O13
• Calculated formula: C26 H26 Co N4 O13
• SMILES: [Co]123([OH2])(OC(=O)c4cccc(C(=O)O1)[n]34)[n]1cccc3ccc4ccc[n]2c4c13.c1(cccc(C(=O)O)n1)C(=O)O.O.O.O.O
• Title of publication: Crystal structure of aquaphenanthroline(pyridine-2,6-dicarboxylato) cobalt(II) pyridine-2,6-dicarboxylic acid monosolvate tetrahydrate, [Co(H~2~O)(C~12~H~8~N~2~){NC~5~H~3~(COO)~2~}] · NC~5~H~3~(COOH)~2~ · 4H~2~O
• Authors of publication: Su, H.; Wen, Y.-H.; Feng, Y.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 560 - 562
• a: 9.8368 ± 0.0003 Å
• b: 11.6034 ± 0.0003 Å
• c: 12.9067 ± 0.0003 Å
• α: 76.607 ± 0.001°
• β: 82.218 ± 0.001°
• γ: 77.622 ± 0.001°
• Cell volume: 1394.09 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No