Crystallography Open Database

Information card for entry 7223548

Preview

Coordinates	7223548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H23 Cd2 Cl N4 O6
Calculated formula	C39 H23 Cd2 Cl N4 O6
Title of publication	Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks
Authors of publication	Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	5
Pages of publication	765
a	20.3729 ± 0.0006 Å
b	9.7388 ± 0.0003 Å
c	17.7787 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3527.43 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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/7223548.html