Crystallography Open Database

Information card for entry 4328503

Preview

Coordinates	4328503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 Br3 N3 O Te
Calculated formula	C37 H42 Br3 N3 O Te
SMILES	[Te]1(Br)(Br)(Br)[n]2c(/C(=N/c3c(C(C)C)cccc3C(C)C)C1)cccc2/C(=N/c1c(C(C)C)cccc1C(C)C)C.O1CCCC1
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	10.592 ± 0.002 Å
b	14.103 ± 0.003 Å
c	26.737 ± 0.007 Å
α	90°
β	104.43 ± 0.03°
γ	90°
Cell volume	3867.9 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0581
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4328503.cif
77481	2013-03-28	cif/ Adding structures of 4328503 via cif-deposit CGI script.	4328503.cif