Crystallography Open Database

Information card for entry 4503091

Preview

Coordinates	4503091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cd4 N2 O18
Calculated formula	C16 H14 Cd4 N2 O18
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	9.977 ± 0.002 Å
b	10.141 ± 0.002 Å
c	12.699 ± 0.003 Å
α	107.1 ± 0.03°
β	94.64 ± 0.03°
γ	112.5 ± 0.03°
Cell volume	1107 ± 0.6 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	0.0518
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4503091.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503091.cif
41347	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503091 via cif-deposit CGI script.	4503091.cif