Crystallography Open Database

Information card for entry 2238774

Preview

Coordinates	2238774.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-<i>L</i>-arginine-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<i>L</i>-arginine-κ^2^<i>N</i>^2^,<i>O</i>)tetra-μ-chlorido-tetrachloridotetracopper(II)
Formula	C6 H14 Cl2 Cu N4 O2
Calculated formula	C6 H14 Cl2 Cu N4 O2
SMILES	C1(=O)[C@H](CCCNC(=[NH2+])N)[NH2][Cu](O1)(Cl)Cl
Title of publication	Bis(μ-<small>L</small>-arginine-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<small>L</small>-arginine-κ^2^<i>N</i>^2^,<i>O</i>)tetra-μ-chlorido-tetrachloridotetracopper(II)
Authors of publication	Arularasan, P.; B.Sivakumar; Chakkaravarthi, G.; Mohan, R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m583 - m584
a	11.9315 ± 0.0008 Å
b	12.8805 ± 0.001 Å
c	15.3949 ± 0.0013 Å
α	90°
β	99.271 ± 0.004°
γ	90°
Cell volume	2335 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
188723 (current)	2016-11-28	cif/2 Fixing some Z values and formulae	2238774.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238774.cif
91190	2013-12-09	cif/ Adding structures of 2238774 via cif-deposit CGI script.	2238774.cif