Crystallography Open Database

Information card for entry 8102567

Preview

Coordinates	8102567.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	copper acetate diammine Cu(CH~3~COO)~2~.2NH~3~
Formula	C4 H12 Cu N2 O4
Calculated formula	C4 H12 Cu N2 O4
Title of publication	Refinement of crystal structure of copper acetate diammine, Cu(CH3COO)2 · 2NH3
Authors of publication	Harald Euler; Hartmut Kutzke; Bruno Barbier; Armin Kirfel
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	725
a	5.452 ± 0.002 Å
b	10.22 ± 0.005 Å
c	7.518 ± 0.005 Å
α	90°
β	107.067 ± 0.003°
γ	90°
Cell volume	400.5 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (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 8.	8102567.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	8102567.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102567.cif
13306	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102567 via cif-deposit CGI script.	8102567.cif