Crystallography Open Database

Information card for entry 7223549

Preview

Coordinates	7223549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 N4 Ni3 O16
Calculated formula	C49 H42 N4 Ni3 O16
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	20.505 ± 0.002 Å
b	10.3482 ± 0.0009 Å
c	29.521 ± 0.004 Å
α	90°
β	113.518 ± 0.015°
γ	90°
Cell volume	5743.7 ± 1.3 Å³
Cell temperature	293.64 ± 0.1 K
Ambient diffraction temperature	293.64 ± 0.1 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	0.1558
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.2257
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation probe	x-ray
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
175971 (current)	2016-02-05	cif/ Updating files of 7223544, 7223545, 7223546, 7223547, 7223548, 7223549, 7223550, 7223551, 7223552 Original log message: Adding full bibliography for 7223544--7223552.cif.	7223549.cif
171615	2015-12-19	cif/ Adding structures of 7223544, 7223545, 7223546, 7223547, 7223548, 7223549, 7223550, 7223551, 7223552 via cif-deposit CGI script.	7223549.cif