Crystallography Open Database

Information card for entry 4311224

Preview

Coordinates	4311224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 Cl2 F6 N O3 P2 Pd
Calculated formula	C24 H29 Cl2 F6 N O3 P2 Pd
SMILES	[Pd]123([P]4(OC(C5OCC([N]1=5)(C)C)(C)C)Oc1c(c5ccccc45)cccc1)[CH2]=[CH]3C2.ClCCl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Stable, Chloride-Induced Monohapto-Bonding Mode for an Allyl Ligand in a Pd(II) Complex Bearing a New Bidentate Phosphonite-Oxazoline Ligand
Authors of publication	Jing Zhang; Pierre Braunstein; Richard Welter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4172 - 4177
a	30.159 ± 0.005 Å
b	12.383 ± 0.005 Å
c	16.257 ± 0.005 Å
α	90°
β	104.606 ± 0.005°
γ	90°
Cell volume	5875 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1057
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179151 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/12.	4311224.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311224.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311224.cif
2719	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311224 via cif-deposit CGI script.	4311224.cif