Information card for entry 7020055

Structure parameters

• Formula: C7 H13 Co N O9
• Calculated formula: C7 H13 Co N O9
• Title of publication: 2D-1D structural phase transformation of Co(ii) 3,5-pyridinedicarboxylate frameworks with chromotropism.
• Authors of publication: Cheansirisomboon, Achareeya; Pakawatchai, Chaveng; Youngme, Sujittra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10698 - 10706
• a: 11.378 ± 0.0008 Å
• b: 7.0973 ± 0.0006 Å
• c: 14.7445 ± 0.0012 Å
• α: 90°
• β: 107.424 ± 0.004°
• γ: 90°
• Cell volume: 1136.03 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No