Crystallography Open Database

Information card for entry 4075523

Preview

Coordinates	4075523.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ana145
Formula	C44 H26 F10 P2 Pt
Calculated formula	C44 H26 F10 P2 Pt
SMILES	[Pt]1([P](C=C([P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes
Authors of publication	García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3926
a	10.6341 ± 0.0002 Å
b	15.9946 ± 0.0003 Å
c	22.678 ± 0.0004 Å
α	90°
β	91.355 ± 0.001°
γ	90°
Cell volume	3856.18 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0838
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178644 (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 4/07/55.	4075523.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075523.cif
49290	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075520, 4075521, 4075522, 4075523 via cif-deposit CGI script.	4075523.cif