Crystallography Open Database

Information card for entry 4509398

Preview

Coordinates	4509398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H61 Cd3.5 Cl N9 O20
Calculated formula	C51 H61 Cd3.5 Cl N9 O20
Title of publication	Structural Diversity in Luminescent Three-Dimensional Cadmium Aliphatic Dicarboxylate Coordination Polymers Incorporating 4,4′-Dipyridylamine: Interpenetrated, Non-Interpenetrated, and Self-Penetrated Networks
Authors of publication	Shyu, Eric; Supkowski, Ronald M.; LaDuca, Robert L.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	5
Pages of publication	2481
a	12.0398 ± 0.0014 Å
b	23.199 ± 0.003 Å
c	21.517 ± 0.003 Å
α	90°
β	93.483 ± 0.001°
γ	90°
Cell volume	5998.8 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0252
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509398.cif
97262	2014-01-29	cif/ Adding structures of 4509398 via cif-deposit CGI script.	4509398.cif