Crystallography Open Database

Information card for entry 7700026

Preview

Coordinates	7700026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113.76 H102.04 Cd3.31 N14.38 O23
Calculated formula	C96 H52 Cd3.27 N8 O16
Title of publication	Charge, adsorption, water stability and bandgap tuning of an anionic Cd(ii) porphyrinic metal-organic framework.
Authors of publication	Li, Qi; Luo, Yanping; Ding, Yue; Wang, Yina; Wang, Yuxin; Du, Hongbin; Yuan, Rongxin; Bao, Jianchun; Fang, Min; Wu, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8678 - 8692
a	7.0923 ± 0.0016 Å
b	26.431 ± 0.006 Å
c	30.165 ± 0.008 Å
α	90°
β	95.216 ± 0.003°
γ	90°
Cell volume	5631 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.172
Residual factor for significantly intense reflections	0.0923
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223800 (current)	2019-11-07	cif/ Updating files of 7700026, 7700027 Original log message: Adding full bibliography for 7700026--7700027.cif.	7700026.cif
215305	2019-05-19	cif/ Adding structures of 7700026, 7700027 via cif-deposit CGI script.	7700026.cif