Crystallography Open Database

Information card for entry 7214458

Preview

Coordinates	7214458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 Cd3 N5 O12
Calculated formula	C11 H9 Cd3 N5 O12
Title of publication	Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties
Authors of publication	Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	21
Pages of publication	4633
a	6.595 ± 0.0004 Å
b	9.1653 ± 0.0005 Å
c	14.1958 ± 0.001 Å
α	85.873 ± 0.005°
β	82.166 ± 0.005°
γ	74.734 ± 0.004°
Cell volume	819.48 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180475 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/44.	7214458.cif
116179	2014-06-07	cif/ Updating files of 7214457, 7214458 Original log message: Adding full bibliography for 7214457--7214458.cif.	7214458.cif
110096	2014-04-18	cif/ Adding structures of 7214457, 7214458 via cif-deposit CGI script.	7214458.cif