Crystallography Open Database

Information card for entry 4328502

Preview

Coordinates	4328502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H45 Cl4 N6 Se2
Calculated formula	C37 H45 Cl4 N6 Se2
Title of publication	Reactions of Diiminopyridine Ligands with Chalcogen Halides
Authors of publication	Caleb D. Martin; Paul J. Ragogna
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2947 - 2953
a	11.413 ± 0.002 Å
b	14.31 ± 0.003 Å
c	26.554 ± 0.007 Å
α	90°
β	103 ± 0.03°
γ	90°
Cell volume	4225.6 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1368
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
179388 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/85.	4328502.cif
77480	2013-03-28	cif/ Adding structures of 4328502 via cif-deposit CGI script.	4328502.cif