Crystallography Open Database

Information card for entry 7127480

Preview

Coordinates	7127480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H72.53 Cd3 Cl1.47 N24 O0.53
Calculated formula	C112 H72.53 Cd3 Cl1.47 N24 O0.53
Title of publication	Axial Cl/Br atom-mediated CO<sub>2</sub> electroreduction performance in a stable porphyrin-based metal-organic framework.
Authors of publication	Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	94
Pages of publication	14817 - 14820
a	47.491 ± 0.002 Å
b	18.5114 ± 0.001 Å
c	27.2738 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	23977 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.77485 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259380 (current)	2020-12-01	cif/ Adding structures of 7127480, 7127481 via cif-deposit CGI script.	7127480.cif