Crystallography Open Database

Information card for entry 4507169

Preview

Coordinates	4507169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H66 Co3 N4 O26
Calculated formula	C62 H66 Co3 N4 O26
Title of publication	Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site
Authors of publication	Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	66
a	17.568 ± 0.002 Å
b	11.272 ± 0.0013 Å
c	17.955 ± 0.002 Å
α	90°
β	115.915 ± 0.002°
γ	90°
Cell volume	3198 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179607 (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 4/50/71.	4507169.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507169.cif
73839	2013-02-21	cif/ Adding structures of 4507169 via cif-deposit CGI script.	4507169.cif