Information card for entry 4346051

Structure parameters

• Common name: Zr6O4(OH)4(bpydc)4.91(CuCl2)4.91
• Formula: C256.48 H117.936 Cl39.312 Cu19.656 N49.616 O112 Zr24
• Calculated formula: C64.1328 H29.4912 Cl9.8304 Cu4.9152 N12.4064 O32 Zr6
• Title of publication: Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
• Authors of publication: Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2995 - 3005
• a: 26.08867 ± 0.0004 Å
• b: 26.08867 ± 0.0004 Å
• c: 26.08867 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17756.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Ambient diffracton pressure: 1 kPa
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Goodness-of-fit parameter for all reflections: 1.42
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.413746 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No