Crystallography Open Database

Information card for entry 4505485

Preview

Coordinates	4505485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Co I N5 O5
Calculated formula	C21 H24 Co I N5 O5
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	10.2864 ± 0.0004 Å
b	24.1852 ± 0.0019 Å
c	9.8258 ± 0.0005 Å
α	90°
β	99.757 ± 0.005°
γ	90°
Cell volume	2409.1 ± 0.2 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	0.0803
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4505485.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505485.cif
51774	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505483, 4505484, 4505485, 4505486 via cif-deposit CGI script.	4505485.cif