Crystallography Open Database

Information card for entry 7226516

Preview

Coordinates	7226516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 N2 O7 Zn
Calculated formula	C27 H18 N2 O7 Zn
Title of publication	Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks
Authors of publication	Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	5418
a	15.7341 ± 0.0018 Å
b	19.19 ± 0.002 Å
c	8.3925 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2534 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2214
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188252 (current)	2016-11-08	cif/ Updating files of 7226516, 7226517 Original log message: Adding full bibliography for 7226516--7226517.cif.	7226516.cif
186502	2016-09-10	cif/ Adding structures of 7226516, 7226517 via cif-deposit CGI script.	7226516.cif