Crystallography Open Database

Information card for entry 4503433

Preview

Coordinates	4503433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cu N4 O5
Calculated formula	C18 H18 Cu N4 O5
Title of publication	A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide
Authors of publication	Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	12
Pages of publication	4383
a	9.0079 ± 0.0018 Å
b	15.629 ± 0.003 Å
c	14.264 ± 0.003 Å
α	90°
β	106.02 ± 0.03°
γ	90°
Cell volume	1930.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2142
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	0.78
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4503433.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503433.cif
41545	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503428, 4503429, 4503430, 4503431, 4503432, 4503433, 4503434, 4503435, 4503436 via cif-deposit CGI script.	4503433.cif