Crystallography Open Database

Information card for entry 4504317

Preview

Coordinates	4504317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cd N10 O8
Calculated formula	C22 H20 Cd N10 O8
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	9.6223 ± 0.001 Å
b	10.2423 ± 0.0011 Å
c	12.8397 ± 0.0013 Å
α	90°
β	95.364 ± 0.002°
γ	90°
Cell volume	1259.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	4504317.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504317.cif
45049	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504317 via cif-deposit CGI script.	4504317.cif