Crystallography Open Database

Information card for entry 4503922

Preview

Coordinates	4503922.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 4 DCBCDS
Formula	C24 H30 Cd N8 O10 S2
Calculated formula	C24 H20 Cd N8 O10 S2
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	23.4891 ± 0.0016 Å
b	6.9729 ± 0.0005 Å
c	9.0414 ± 0.0006 Å
α	90°
β	105.212 ± 0.004°
γ	90°
Cell volume	1428.98 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503922.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503922.cif
44816	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503919, 4503920, 4503921, 4503922 via cif-deposit CGI script.	4503922.cif