Crystallography Open Database

Information card for entry 4112577

Preview

Coordinates	4112577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H40 Cl2 N4 O2
Calculated formula	C43 H40 Cl2 N4 O2
Title of publication	Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion
Authors of publication	Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6314 - 6326
a	18.02 ± 0.004 Å
b	22.933 ± 0.005 Å
c	9.7801 ± 0.0014 Å
α	90°
β	108.509 ± 0.011°
γ	90°
Cell volume	3832.6 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178896 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/25.	4112577.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112577.cif
64969	2012-08-30	cif/ Adding structures of 4112577 via cif-deposit CGI script.	4112577.cif