Crystallography Open Database

Information card for entry 4503921

Preview

Coordinates	4503921.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 3 dcbcds
Formula	C20 H26 Cd N6 O8 S
Calculated formula	C20 H20 Cd N6 O8 S
Title of publication	Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine
Authors of publication	Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	2
Pages of publication	328
a	17.268 ± 0.005 Å
b	15.465 ± 0.005 Å
c	17.929 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4788 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0589
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179574 (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 4/50/39.	4503921.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503921.cif
44816	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503919, 4503920, 4503921, 4503922 via cif-deposit CGI script.	4503921.cif