Information card for entry 4111702

Structure parameters

• Formula: C16 H14 Cl2 Co N5 O6
• Calculated formula: C16 H14 Cl2 Co N5 O6
• Title of publication: In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material
• Authors of publication: Gregory J. Halder; Cameron J. Kepert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7891 - 7900
• a: 11.372 ± 0.0016 Å
• b: 17.486 ± 0.003 Å
• c: 11.3736 ± 0.0016 Å
• α: 90°
• β: 114.319 ± 0.002°
• γ: 90°
• Cell volume: 2061 ± 0.5 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No