Crystallography Open Database

Information card for entry 7225867

Preview

Coordinates	7225867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 N4 O2 Zn
Calculated formula	C12 H6 N4 O2 Zn
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	4.8185 ± 0.0004 Å
b	10.7128 ± 0.0009 Å
c	10.5491 ± 0.0009 Å
α	90°
β	97.394 ± 0.002°
γ	90°
Cell volume	540.01 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7225867.cif
184316	2016-07-09	cif/ Adding structures of 7225867, 7225868 via cif-deposit CGI script.	7225867.cif