Information card for entry 7239638

Structure parameters

• Formula: C102 H106 Cl4 Cu4 Mn2 N22 O29
• Calculated formula: C102 H100 Cl4 Cu4 Mn2 N22 O29
• Title of publication: The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions
• Authors of publication: Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 888 - 894
• a: 14.582 ± 0.004 Å
• b: 15.677 ± 0.005 Å
• c: 25.158 ± 0.008 Å
• α: 87.217 ± 0.006°
• β: 75.768 ± 0.006°
• γ: 78.204 ± 0.007°
• Cell volume: 5457 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3005
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No