Crystallography Open Database

Information card for entry 4503436

Preview

Coordinates	4503436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H62 Cu2 N12 O14
Calculated formula	C58 H50 Cu2 N12 O14
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	8.6401 ± 0.0017 Å
b	13.569 ± 0.003 Å
c	13.734 ± 0.003 Å
α	82.65 ± 0.03°
β	71.95 ± 0.03°
γ	89.35 ± 0.03°
Cell volume	1517.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1564
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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.	4503436.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503436.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.	4503436.cif