Crystallography Open Database

Information card for entry 7207320

7207319 << 7207320 >> 7207321

Preview

Coordinates	7207320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cu N6 O6
Calculated formula	C4 H12 Cu N6 O6
Title of publication	The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n
Authors of publication	Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	5
Pages of publication	2074
a	8.9664 ± 0.0003 Å
b	8.9664 ± 0.0003 Å
c	12.3548 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	993.28 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
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
180404 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/73.	7207320.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207320.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207320.cif
33590	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7207319, 7207320, 7207321, 7207322 via cif-deposit CGI script.	7207320.cif