Crystallography Open Database

Information card for entry 4507906

Preview

Coordinates	4507906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 Cu I N2 O5
Calculated formula	C20 H13 Cu I N2 O5
Title of publication	Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect
Authors of publication	Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3353
a	9.146 ± 0.005 Å
b	17.611 ± 0.009 Å
c	13.737 ± 0.005 Å
α	90°
β	123 ± 0.02°
γ	90°
Cell volume	1855.7 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507906.cif
87753	2013-08-27	cif/ Adding structures of 4507905, 4507906, 4507907, 4507908, 4507909, 4507910, 4507911 via cif-deposit CGI script.	4507906.cif