Crystallography Open Database

Information card for entry 7018874

Preview

Coordinates	7018874.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CuAsp
Formula	C4 H9 Cu N O6
Calculated formula	C4 H9 Cu N O6
Title of publication	Tuning the coordination chemistry of a Cu(ii) complex at high-pressure.
Authors of publication	Gould, Jamie A.; Rosseinsky, Matthew J.; Moggach, Stephen A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	18
Pages of publication	5464 - 5467
a	9.2843 ± 0.0003 Å
b	9.8358 ± 0.0004 Å
c	7.4532 ± 0.0007 Å
α	90°
β	93.071 ± 0.005°
γ	90°
Cell volume	679.64 ± 0.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Ambient diffracton pressure	1840000 kPa
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for all reflections	0.0676
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	0.9613
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.4762 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
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.	7018874.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018874.cif
55981	2012-05-08	cif/ Adding structures of 7018871, 7018872, 7018873, 7018874, 7018875, 7018876, 7018877, 7018878, 7018879 via cif-deposit CGI script.	7018874.cif