Crystallography Open Database

Information card for entry 1512644

Preview

Coordinates	1512644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N10 O2
Calculated formula	C12 H8 Cu 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	8.2773 ± 0.0007 Å
b	15.4031 ± 0.0014 Å
c	12.5645 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1601.9 ± 0.2 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2069
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512644.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512644.cif
89900	2013-11-15	cif/ Adding structures of 1512644 via cif-deposit CGI script.	1512644.cif