Crystallography Open Database

Information card for entry 4505484

Preview

Coordinates	4505484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Co2 I2 N8 O14
Calculated formula	C42 H52 Co2 I2 N8 O14
Title of publication	Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect
Authors of publication	Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1239
a	15.131 ± 0.004 Å
b	19.269 ± 0.01 Å
c	18.433 ± 0.006 Å
α	90°
β	108.89 ± 0.03°
γ	90°
Cell volume	5085 ± 4 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	0.1015
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179589 (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 4/50/54.	4505484.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505484.cif
51774	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505483, 4505484, 4505485, 4505486 via cif-deposit CGI script.	4505484.cif