Crystallography Open Database

Information card for entry 4074902

Preview

Coordinates	4074902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 B2 O5 P2 Pt
Calculated formula	C42 H38 B2 O5 P2 Pt
SMILES	[Pt]12(OB(OB(O2)c2ccc(cc2)C(=O)C)c2ccc(cc2)C(=O)C)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
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	16.0265 ± 0.0017 Å
b	21.295 ± 0.002 Å
c	22.041 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7522.2 ± 1.3 Å³
Cell temperature	113.1 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.837
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.	4074902.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074902.cif
88562	2013-09-27	smi/4 Adding SMILES for boron-containing compounds.	4074902.cif
48951	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074901, 4074902, 4074903, 4074904 via cif-deposit CGI script.	4074902.cif