Crystallography Open Database

Information card for entry 1512642

Preview

Coordinates	1512642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cd N10 O2
Calculated formula	C12 H12 Cd N10 O2
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	8.4251 ± 0.0007 Å
b	7.9458 ± 0.0007 Å
c	10.8479 ± 0.0009 Å
α	90°
β	95.498 ± 0.002°
γ	90°
Cell volume	722.86 ± 0.11 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.369
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.	1512642.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512642.cif
89898	2013-11-15	cif/ Adding structures of 1512642 via cif-deposit CGI script.	1512642.cif