Crystallography Open Database

Information card for entry 7229870

Preview

Coordinates	7229870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 N3 O6 S Zn
Calculated formula	C12 H17 N3 O6 S Zn
Title of publication	Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars
Authors of publication	Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	4
Pages of publication	432
a	31.782 ± 0.002 Å
b	7.0949 ± 0.0005 Å
c	7.3953 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1667.57 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
228992 (current)	2019-11-17	cif/ Updating files of 7229861, 7229862, 7229863, 7229864, 7229865, 7229866, 7229867, 7229868, 7229869, 7229870, 7229871, 7229872 Original log message: Adding full bibliography for 7229861--7229872.cif.	7229870.cif
204734	2018-01-05	cif/ Adding structures of 7229861, 7229862, 7229863, 7229864, 7229865, 7229866, 7229867, 7229868, 7229869, 7229870, 7229871, 7229872 via cif-deposit CGI script.	7229870.cif