Crystallography Open Database

Information card for entry 1512664

Preview

Coordinates	1512664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 Br Cl N2 P
Calculated formula	C32 H27 Br Cl N2 P
SMILES	P1(Cl)n2c3ccccc3c(C)c2C(c2n1c1c(c2C)cccc1)c1ccc(Br)cc1.c1ccccc1C
Title of publication	The 2,2'-diindolylmethane dianion supporting scaffold for group 15 compounds
Authors of publication	Ian Mallov; Heather Spinney; Titel Jurca; Serge Gorelsky; Tara Burchell; Darrin Richeson
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	5 - 9
a	10.836 ± 0.004 Å
b	21.63 ± 0.008 Å
c	23.468 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	5500 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512664.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512664.cif
89920	2013-11-15	cif/ Adding structures of 1512664 via cif-deposit CGI script.	1512664.cif