Crystallography Open Database

Information card for entry 4503919

Preview

Coordinates	4503919.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 1 DCBCDH
Formula	C12.6 H10.6 Cd N5 O0.2 S2
Calculated formula	C12 H9 Cd N5 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	21.9952 ± 0.001 Å
b	10.1725 ± 0.0005 Å
c	7.6396 ± 0.0003 Å
α	90°
β	97.608 ± 0.003°
γ	90°
Cell volume	1694.28 ± 0.13 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	4503919.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503919.cif
44816	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503919, 4503920, 4503921, 4503922 via cif-deposit CGI script.	4503919.cif