Crystallography Open Database

Information card for entry 4509989

Preview

Coordinates	4509989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Cd N6 O7 S
Calculated formula	C21 H20 Cd N6 O7 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	10.732 ± 0.0011 Å
b	20.421 ± 0.002 Å
c	22.125 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4848.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4509989.cif
104158	2014-03-10	cif/ Adding structures of 4509983, 4509984, 4509985, 4509986, 4509987, 4509988, 4509989 via cif-deposit CGI script.	4509989.cif