Crystallography Open Database

Information card for entry 7233407

Preview

Coordinates	7233407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cu2 N4 O14
Calculated formula	C34 H28 Cu2 N4 O14
Title of publication	Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites
Authors of publication	Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	36
Pages of publication	5382
a	16.2198 ± 0.0002 Å
b	10.5608 ± 0.0001 Å
c	21.3159 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3651.29 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223696 (current)	2019-11-07	cif/ Updating files of 7233406, 7233407 Original log message: Adding full bibliography for 7233406--7233407.cif.	7233407.cif
217627	2019-08-21	cif/ Adding structures of 7233406, 7233407 via cif-deposit CGI script.	7233407.cif