Crystallography Open Database

Information card for entry 4503920

Preview

Coordinates	4503920.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 2 dccdb
Formula	C40 H40 Cd2 N16 O14
Calculated formula	C40 H40 Cd2 N16 O14
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	24.0569 ± 0.0012 Å
b	16.084 ± 0.0008 Å
c	16.5679 ± 0.0006 Å
α	90°
β	132.762 ± 0.002°
γ	90°
Cell volume	4706.6 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
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.	4503920.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503920.cif
44816	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503919, 4503920, 4503921, 4503922 via cif-deposit CGI script.	4503920.cif