Crystallography Open Database

Information card for entry 4509988

Preview

Coordinates	4509988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Co N6 O6 S
Calculated formula	C21 H18 Co N6 O6 S
Title of publication	Rational Assembly of Co/Cd-MOFs Featuring Topological Variation
Authors of publication	Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	147
a	18.296 ± 0.002 Å
b	9.8044 ± 0.0011 Å
c	13.0202 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2335.6 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
179635 (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 4/50/99.	4509988.cif
104158	2014-03-10	cif/ Adding structures of 4509983, 4509984, 4509985, 4509986, 4509987, 4509988, 4509989 via cif-deposit CGI script.	4509988.cif