Crystallography Open Database

Information card for entry 4503090

Preview

Coordinates	4503090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cd3 N2 O16
Calculated formula	C16 H12 Cd3 N2 O16
Title of publication	Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures
Authors of publication	Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	452
a	6.5548 ± 0.0013 Å
b	8.5026 ± 0.0017 Å
c	10.02 ± 0.002 Å
α	109.39 ± 0.03°
β	96.87 ± 0.03°
γ	100.86 ± 0.03°
Cell volume	507.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0493
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179561 (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 4/50/30.	4503090.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503090.cif
41346	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503090 via cif-deposit CGI script.	4503090.cif