Crystallography Open Database

Information card for entry 7030085

Preview

Coordinates	7030085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Br2 P4 Pt
Calculated formula	C42 H42 Br2 P4 Pt
SMILES	[Pt]123(Br)[P](CC[P]1(c1ccccc1)c1ccccc1)(CC[P]2(c1ccccc1)c1ccccc1)CC[P]3(c1ccccc1)c1ccccc1.[Br-]
Title of publication	Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate Pd(II) and Pt(II) complexes containing polyphosphines.
Authors of publication	Fernández-Anca, Damián; García-Seijo, M Inés; García-Fernández, M Esther
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	28
Pages of publication	10221 - 10232
a	10.268 ± 0.004 Å
b	10.538 ± 0.004 Å
c	20.356 ± 0.008 Å
α	102.51 ± 0.02°
β	96.79 ± 0.03°
γ	104.38 ± 0.02°
Cell volume	2048.2 ± 1.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180006 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/00.	7030085.cif
111406	2014-04-22	cif/ Adding structures of 7030085, 7030086, 7030087 via cif-deposit CGI script.	7030085.cif