Crystallography Open Database

Information card for entry 1512645

Preview

Coordinates	1512645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 Cd Cl N6 O
Calculated formula	C9 H11 Cd Cl N6 O
Title of publication	One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)
Authors of publication	Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	417 - 427
a	6.92 ± 0.0005 Å
b	9.7325 ± 0.0007 Å
c	10.3635 ± 0.0008 Å
α	79.491 ± 0.001°
β	86.492 ± 0.001°
γ	75.524 ± 0.001°
Cell volume	664.39 ± 0.09 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512645.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512645.cif
89901	2013-11-15	cif/ Adding structures of 1512645 via cif-deposit CGI script.	1512645.cif