Crystallography Open Database

Information card for entry 4069570

Preview

Coordinates	4069570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Cr O4 P2
Calculated formula	C30 H24 Cr O4 P2
SMILES	[Cr]1([P](c2ccccc2)(c2ccccc2)C([P]1(c1ccccc1)c1ccccc1)C)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	C-Substituted Bis(diphenylphosphino)methane-Type Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions
Authors of publication	Dulai, Arminderjit; de Bod, Henriëtte; Hanton, Martin J.; Smith, David M.; Downing, Stephen; Mansell, Stephen M.; Wass, Duncan F.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4613
a	15.8426 ± 0.0009 Å
b	16.7783 ± 0.001 Å
c	20.2915 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5393.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
178584 (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 4/06/95.	4069570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069570.cif
40342	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069570 via cif-deposit CGI script.	4069570.cif