Crystallography Open Database

Information card for entry 7128957

Preview

Coordinates	7128957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N3 O6
Calculated formula	C16 H13 N3 O6
Title of publication	Semiconductive coordination polymers with continuous π-π interactions and defined crystal structures.
Authors of publication	Yan, Yong; Henfling, Stefan; Zhang, Ning-Ning; Krautscheid, Harald
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	80
Pages of publication	10407 - 10410
a	6.6813 ± 0.0007 Å
b	9.1526 ± 0.0009 Å
c	12.8079 ± 0.0013 Å
α	71.835 ± 0.008°
β	78.233 ± 0.009°
γ	71.616 ± 0.008°
Cell volume	701.34 ± 0.13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270372 (current)	2021-11-06	cif/ Updating files of 7128957, 7128958, 7128959, 7128960 Original log message: Adding full bibliography for 7128957--7128960.cif.	7128957.cif
269112	2021-09-14	cif/ Adding structures of 7128957, 7128958, 7128959, 7128960 via cif-deposit CGI script.	7128957.cif