Crystallography Open Database

Information card for entry 4504963

Preview

Coordinates	4504963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H28 Cd Cl3 N8 O12
Calculated formula	C43 H28 Cd Cl3 N8 O12
Title of publication	Nonpenetrating Architectures of Cd(II) Complexes Constructed by Bispyridyl-Substituted Diphthalic Diimide Ligands of Varied Geometry
Authors of publication	Lü, Xing-Qiang; Jiang, Ji-Jun; Zhang, Li; Chen, Chun-Long; Su, Cheng-Yong; Kang, Bei-Sheng
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	2
Pages of publication	419
a	11.917 ± 0.004 Å
b	26.67 ± 0.009 Å
c	15.241 ± 0.005 Å
α	90°
β	112.694 ± 0.006°
γ	90°
Cell volume	4469 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0928
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179584 (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 4/50/49.	4504963.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504963.cif
50080	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504963 via cif-deposit CGI script.	4504963.cif