Crystallography Open Database

Information card for entry 7128958

Preview

Coordinates	7128958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 N2 O8 Sr
Calculated formula	C14 H8 N2 O8 Sr
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	12.2948 ± 0.0008 Å
b	6.545 ± 0.0003 Å
c	16.9823 ± 0.0009 Å
α	90°
β	104.89 ± 0.005°
γ	90°
Cell volume	1320.67 ± 0.13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7128958.cif
269112	2021-09-14	cif/ Adding structures of 7128957, 7128958, 7128959, 7128960 via cif-deposit CGI script.	7128958.cif