Crystallography Open Database

Information card for entry 4347291

Preview

Coordinates	4347291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H54 Cu3 F18 N6 O18
Calculated formula	C96 H54 Cu3 F18 N6 O18
Title of publication	Pd@Cu(II)-MOF-Catalyzed Aerobic Oxidation of Benzylic Alcohols in Air with High Conversion and Selectivity.
Authors of publication	Chen, Gong-Jun; Wang, Jing-Si; Jin, Fa-Zheng; Liu, Ming-Yang; Zhao, Chao-Wei; Li, Yan-An; Dong, Yu-Bin
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	3058 - 3064
a	21.5669 ± 0.0005 Å
b	21.5669 ± 0.0005 Å
c	7.7969 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3140.71 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2745
Weighted residual factors for all reflections included in the refinement	0.2433
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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