Crystallography Open Database

Information card for entry 7225868

Preview

Coordinates	7225868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Cd N4 O3
Calculated formula	C12 H6 Cd N4 O3
Title of publication	Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid
Authors of publication	Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	34
Pages of publication	6396
a	10.2092 ± 0.0019 Å
b	8.5034 ± 0.0017 Å
c	13.885 ± 0.003 Å
α	90°
β	98.655 ± 0.005°
γ	90°
Cell volume	1191.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
186360 (current)	2016-09-10	cif/ Updating files of 7225867, 7225868 Original log message: Adding full bibliography for 7225867--7225868.cif.	7225868.cif
184316	2016-07-09	cif/ Adding structures of 7225867, 7225868 via cif-deposit CGI script.	7225868.cif