Crystallography Open Database

Information card for entry 4072168

Preview

Coordinates	4072168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 P2 Pt
Calculated formula	C54 H44 P2 Pt
SMILES	[P]([Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Chiralcis-Platinum Acetylide Complexes via Diphosphine Ligand Exchange: Effect of the Ligand
Authors of publication	Sadowy, Amber L.; Ferguson, Michael J.; McDonald, Robert; Tykwinski, Rik R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	23
Pages of publication	6321
a	13.6022 ± 0.0008 Å
b	8.5341 ± 0.0005 Å
c	18.0885 ± 0.0011 Å
α	90°
β	90.447 ± 0.001°
γ	90°
Cell volume	2099.7 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0404
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
178610 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21.	4072168.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072168.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072168.cif
44269	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072168, 4072169 via cif-deposit CGI script.	4072168.cif