Crystallography Open Database

Information card for entry 7216571

Preview

Coordinates	7216571.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)
Chemical name	1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)
Formula	C10 H24.6 Br2 Cu N8 O3.3
Calculated formula	C10 H20 Br2 Cu N8 O3.3
Title of publication	Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands
Authors of publication	Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	92
Pages of publication	552
a	21.904 ± 0.006 Å
b	12.9712 ± 0.0004 Å
c	6.7694 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1923.3 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216571.cif
116856	2014-06-14	cif/ Adding structures of 7216568, 7216569, 7216570, 7216571, 7216572 via cif-deposit CGI script.	7216571.cif