Crystallography Open Database

Information card for entry 4516742

Preview

Coordinates	4516742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H60 Cu3 N8 O15
Calculated formula	C78 H60 Cu3 N8 O15
Title of publication	Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction
Authors of publication	Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	3
Pages of publication	1726
a	15.598 ± 0.007 Å
b	15.598 ± 0.007 Å
c	59.01 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	12434 ± 9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4516742.html