Crystallography Open Database

Information card for entry 4074553

Preview

Coordinates	4074553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 Al3 N3 P
Calculated formula	C27 H39 Al3 N3 P
SMILES	[P]12([Al](C)(C)C)C[N]3([Al]([N](c4ccccc4)(C2)[Al]3(C)C)(N(C1)c1ccccc1)C)c1ccccc1
Title of publication	Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes
Authors of publication	Han, Hua; Johnson, Samuel A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	23
Pages of publication	5594
a	11.8225 ± 0.0013 Å
b	14.7615 ± 0.0016 Å
c	33.447 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5837.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0555
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
178634 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/45.	4074553.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074553.cif
48443	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074546, 4074547, 4074548, 4074549, 4074550, 4074551, 4074552, 4074553 via cif-deposit CGI script.	4074553.cif