Crystallography Open Database

Information card for entry 4079533

Preview

Coordinates	4079533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 Cl F N P Pt
Calculated formula	C29 H22 Cl F N P Pt
SMILES	[Pt]1(c2c(c3[n]1cccc3)ccc(F)c2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
Title of publication	Relieving Steric Strain at Octahedral Platinum(IV): Isomerization and Reductive Coupling of Alkyl and Aryl Chlorides
Authors of publication	Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	20
Pages of publication	7256
a	9.9732 ± 0.0002 Å
b	10.3045 ± 0.0002 Å
c	13.5611 ± 0.0003 Å
α	77.476 ± 0.0013°
β	69.497 ± 0.0012°
γ	66.643 ± 0.0012°
Cell volume	1193.46 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178684 (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 4/07/95.	4079533.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079533.cif
72468	2013-01-21	cif/ Adding structures of 4079533, 4079534 via cif-deposit CGI script.	4079533.cif