Crystallography Open Database

Information card for entry 4074904

Preview

Coordinates	4074904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 O2 P2 Pt
Calculated formula	C40 H38 O2 P2 Pt
SMILES	[Pt]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid
Authors of publication	Pantcheva, Ivayla; Osakada, Kohtaro
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	7
Pages of publication	1735
a	10.3823 ± 0.0019 Å
b	11.367 ± 0.002 Å
c	14.227 ± 0.003 Å
α	92.374 ± 0.002°
β	93.196 ± 0.003°
γ	98.853 ± 0.004°
Cell volume	1654.3 ± 0.5 Å³
Cell temperature	113.1 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 significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4074904.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074904.cif
48951	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074901, 4074902, 4074903, 4074904 via cif-deposit CGI script.	4074904.cif