Crystallography Open Database

Information card for entry 4504672

Preview

Coordinates	4504672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Co N10 O6 S2
Calculated formula	C30 H18 Co N10 O6 S2
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	15.721 ± 0.001 Å
b	15.828 ± 0.001 Å
c	15.414 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3835.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1484
Residual factor for significantly intense reflections	0.095
Weighted residual factors for significantly intense reflections	0.2958
Weighted residual factors for all reflections included in the refinement	0.3308
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	4504672.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504672.cif
47474	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504672 via cif-deposit CGI script.	4504672.cif