Crystallography Open Database

Information card for entry 4328501

Preview

Coordinates	4328501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 Br4 N6 Se2
Calculated formula	C37 H39 Br4 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	11.95 ± 0.002 Å
b	14.476 ± 0.003 Å
c	26.043 ± 0.008 Å
α	90°
β	103.39 ± 0.03°
γ	90°
Cell volume	4382.7 ± 1.9 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	0.1097
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2599
Weighted residual factors for all reflections included in the refinement	0.2812
Goodness-of-fit parameter for all reflections included in the refinement	1.227
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
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.	4328501.cif
77479	2013-03-28	cif/ Adding structures of 4328501 via cif-deposit CGI script.	4328501.cif