Crystallography Open Database

Information card for entry 4504673

Preview

Coordinates	4504673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H50 Co2 N18 O2 S4
Calculated formula	C55 H51 Co2 N17 O2 S4
Title of publication	Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality
Authors of publication	Shin, Dong Mok; Lee, In Su; Chung, Young Keun
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	5
Pages of publication	1059
a	13.7195 ± 0.0008 Å
b	13.6998 ± 0.0008 Å
c	18.1247 ± 0.0011 Å
α	77.634 ± 0.003°
β	77.225 ± 0.003°
γ	63.562 ± 0.003°
Cell volume	2948.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1513
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1781
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179581 (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 4/50/46.	4504673.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504673.cif
47475	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504673 via cif-deposit CGI script.	4504673.cif