Crystallography Open Database

Information card for entry 4504316

Preview

Coordinates	4504316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 Cd N11 O12
Calculated formula	C30 H33 Cd N11 O12
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	21.1088 ± 0.0012 Å
b	34.334 ± 0.002 Å
c	20.1564 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	14608.3 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4504316.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504316.cif
45048	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504316 via cif-deposit CGI script.	4504316.cif