Crystallography Open Database

Information card for entry 4502981

Preview

Coordinates	4502981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cd2 N2 O11
Calculated formula	C14 H12 Cd2 N2 O11
Title of publication	Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer
Authors of publication	Kukovec, Boris-Marko; Venter, Gerhard A.; Oliver, Clive L.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	456
a	25.8521 ± 0.0015 Å
b	9.7306 ± 0.0007 Å
c	13.3763 ± 0.0007 Å
α	90°
β	93.75 ± 0.004°
γ	90°
Cell volume	3357.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0516
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179560 (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 4/50/29.	4502981.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502981.cif
37807	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502981, 4502982 via cif-deposit CGI script.	4502981.cif