Crystallography Open Database

Information card for entry 4509166

Preview

Coordinates	4509166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H59 Co4 F24 N4 O19
Calculated formula	C94 H60 Co4 F24 N4 O19
Title of publication	Assembly of Metal−Organic Frameworks with Helical Layer: From 2D Parallel Interpenetrated Layer to 3D Self-Penetrating Network
Authors of publication	Han, Lei; Zhou, Yan; Zhao, Wen-Na; Li, Xing; Liang, Yun-Xiao
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	2
Pages of publication	660
a	29.45 ± 0.006 Å
b	15.409 ± 0.003 Å
c	23.393 ± 0.005 Å
α	90°
β	111.8 ± 0.03°
γ	90°
Cell volume	9856 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.123
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2409
Weighted residual factors for all reflections included in the refinement	0.2566
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
179627 (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 4/50/91.	4509166.cif
97152	2014-01-29	cif/ Adding structures of 4509166 via cif-deposit CGI script.	4509166.cif