Crystallography Open Database

Information card for entry 4320806

4320805 << 4320806 >> 4320807

Preview

Coordinates	4320806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cu3 N12 O20
Calculated formula	C36 H46 Cu3 N12 O20
Title of publication	Coordination Polymers Composed of Copper(II), Trimesic Acid, and Imidazole: 3D Architecture Stabilized by Hydrogen Bonding
Authors of publication	Deping Cheng; Masood A. Khan; Robert P. Houser
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6858 - 6859
a	10.049 ± 0.002 Å
b	14.29 ± 0.003 Å
c	18.843 ± 0.007 Å
α	75.896 ± 0.017°
β	77.73 ± 0.02°
γ	77.018 ± 0.007°
Cell volume	2521.3 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0655
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179311 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/08.	4320806.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320806.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320806.cif
18051	2011-04-15	../uploads/cif-deposit/cod/cif Adding structures of 4320806 via cif-deposit CGI script.	4320806.cif