Crystallography Open Database

Information card for entry 4503406

Preview

Coordinates	4503406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H128 Co2 N36 O52
Calculated formula	C104 H128 Co2 N36 O52
Title of publication	Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip
Authors of publication	Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	5
Pages of publication	1645
a	9.075 ± 0.0009 Å
b	12.1333 ± 0.0012 Å
c	29.037 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3197.3 ± 0.6 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179565 (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 4/50/34.	4503406.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503406.cif
41527	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503406 via cif-deposit CGI script.	4503406.cif