Crystallography Open Database

Information card for entry 7001505

Preview

Coordinates	7001505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 Cl2 O2 P2 Pt
Calculated formula	C41 H38 Cl2 O2 P2 Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH2]=[CH]1C(=O)OC.ClCCl
Title of publication	Di- and trinuclear phosphido-bridged platinum complexes. Crystal structures of [Pt{CH2=CHC(O)OMe}(PPh3)2], trans-[Pt2(μ-PPh2)2I2(PPh3)2] and cis,cis,cis-[Pt3(μ-I)2(μ-PPh2)2Cl0.5I1.5(PPh3)2]
Authors of publication	Bender, Robert; Okio, Coco; Welter, Richard; Braunstein, Pierre
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	25
Pages of publication	4901 - 4907
a	12.16 ± 0.002 Å
b	14.283 ± 0.002 Å
c	21.322 ± 0.002 Å
α	90°
β	90.27 ± 0.05°
γ	90°
Cell volume	3703.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179713 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/15.	7001505.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001505.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001505.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001505.cif