Crystallography Open Database

Information card for entry 4069648

Preview

Coordinates	4069648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H39 Al O2 P2
Calculated formula	C49 H39 Al O2 P2
SMILES	[P]1([Al]2([P](c3ccccc3)(c3ccccc3)c3c(O2)c(ccc3)c2ccccc2)(Oc2c1cccc2c1ccccc1)C)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Structure of Neutral and Cationic Aluminum Complexes Supported by BidentateO,P-Phosphinophenolate Ligands and Their Reactivity with Propylene Oxide and ε-Caprolactone
Authors of publication	Haddad, Mansour; Laghzaoui, Mohamed; Welter, Richard; Dagorne, Samuel
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4584
a	11.947 ± 0.005 Å
b	28.424 ± 0.005 Å
c	13.125 ± 0.005 Å
α	90°
β	116.471 ± 0.005°
γ	90°
Cell volume	3990 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1269
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
178585 (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 4/06/96.	4069648.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069648.cif
40376	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069644, 4069645, 4069646, 4069647, 4069648 via cif-deposit CGI script.	4069648.cif