Crystallography Open Database

Information card for entry 4068350

Preview

Coordinates	4068350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H52 I2 N2 P2 Pt
Calculated formula	C43 H52 I2 N2 P2 Pt
SMILES	[Pt]1(I)([P]([C@H]([C@@H]([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)=C1N(C=CN1C1CCCCC1)C1CCCCC1.[I-]
Title of publication	Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts
Authors of publication	Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Frison, Gilles; Marinetti, Angela
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	140
a	12.544 ± 0.003 Å
b	14.714 ± 0.003 Å
c	23.594 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4354.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178573 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/83.	4068350.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068350.cif
39658	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068349, 4068350, 4068351 via cif-deposit CGI script.	4068350.cif