Crystallography Open Database

Information card for entry 7002229

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Coordinates	7002229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H64 Cl2 O6 P2 Pt2
Calculated formula	C68 H64 Cl2 O6 P2 Pt2
SMILES	c12ccc3ccccc3c2c2c3ccccc3ccc2O[P]2(O1)[Pt]1(c3cc(C(C)(C)C)cc(c3O2)C(C)(C)C)[Cl][Pt]2([P]3(Oc4ccc5ccccc5c4c4c5ccccc5ccc4O3)Oc3c2cc(cc3C(C)(C)C)C(C)(C)C)[Cl]1
Title of publication	Chiral triaryl phosphite-based palladacycles and platinacycles: synthesis and application to asymmetric Lewis acid catalysis
Authors of publication	Bedford, Robin B.; Dumycz, Helena; Haddow, Mairi F.; Pilarski, Lukasz T.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	37
Pages of publication	7796 - 7804
a	17.724 ± 0.003 Å
b	10.234 ± 0.0016 Å
c	17.561 ± 0.003 Å
α	90°
β	108.246 ± 0.003°
γ	90°
Cell volume	3025.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7002229.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002229.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002229.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002229.cif