Information card for entry 1563062

Structure parameters

• Formula: C14 H20 Cd2 Mo N12 O8
• Calculated formula: C14 H20 Cd2 Mo N12 O8
• Title of publication: Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer
• Authors of publication: Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 15.8209 ± 0.0011 Å
• b: 14.7258 ± 0.0009 Å
• c: 12.4024 ± 0.0007 Å
• α: 90°
• β: 108.213 ± 0.002°
• γ: 90°
• Cell volume: 2744.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No