Crystallography Open Database

Information card for entry 4504318

Preview

Coordinates	4504318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 Cd N6 O10
Calculated formula	C11 H16 Cd N6 O10
Title of publication	Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands
Authors of publication	Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	10
Pages of publication	2096
a	16.212 ± 0.004 Å
b	18.776 ± 0.005 Å
c	13.907 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4233 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1546
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
179578 (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 4/50/43.	4504318.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504318.cif
45050	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504318 via cif-deposit CGI script.	4504318.cif