Crystallography Open Database

Information card for entry 4130050

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Coordinates	4130050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H38 Cu4 N12 O20
Calculated formula	C65 H38 Cu4 N12 O20
Title of publication	A Triazole-Containing Metal-Organic Framework as a Highly Effective and Substrate Size-Dependent Catalyst for CO2 Conversion.
Authors of publication	Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Lim, Jie Sheng; Zou, Ruqiang; Zhao, Yanli
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	7
Pages of publication	2142 - 2145
a	46.0575 ± 0.0006 Å
b	20.9442 ± 0.0003 Å
c	14.1001 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	13601.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	21
Hermann-Mauguin space group symbol	C 2 2 2
Hall space group symbol	C 2 2
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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