Crystallography Open Database

Information card for entry 7024655

Preview

Coordinates	7024655.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ls15
Chemical name	Ls15
Formula	C18 H17 Br2 N2 P Pd
Calculated formula	C18 H17 Br2 N2 P Pd
SMILES	[Pd]1([P](Cc2[n]1cccc2)(Cc1ncccc1)c1ccccc1)(Br)Br
Title of publication	Palladium and iridium complexes with a N,P,N-bis(pyridine)phenylphosphine ligand.
Authors of publication	Liu, Shaofeng; Peloso, Riccardo; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2563 - 2572
a	15.3788 ± 0.0005 Å
b	14.0532 ± 0.0006 Å
c	18.7832 ± 0.0005 Å
α	90°
β	110.209 ± 0.002°
γ	90°
Cell volume	3809.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0486
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation probe	x-ray
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024655.cif
92612	2014-01-12	cif/ Adding structures of 7024649, 7024650, 7024651, 7024652, 7024653, 7024654, 7024655 via cif-deposit CGI script.	7024655.cif