Information card for entry 4127025

Structure parameters

• Common name: zirconium nickel cyclam carboxylate
• Chemical name: 6,13-dicarboxy-1,4,8,11-tetrazacyclotetradecan copper zirconium oxide
• Mineral name: none
• Formula: C24 H44 Cl4 Cu2 N8 O36 Zr3
• Calculated formula: C24 H44 Cl4 Cu2 N8 O36 Zr3
• Title of publication: A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.
• Authors of publication: Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.721 ± 0.003 Å
• b: 16.721 ± 0.003 Å
• c: 19.704 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5509 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• RFsqd: 0.1635
• Goodness-of-fit parameter for all reflections: 5.58
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.45336 Å
• Diffraction radiation type: Synchrotronmono-beam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No