Crystallography Open Database

Information card for entry 4074548

Preview

Coordinates	4074548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 N3 P Se
Calculated formula	C27 H36 N3 P Se
SMILES	[Se]=P(CNc1cc(cc(c1)C)C)(CNc1cc(cc(c1)C)C)CNc1cc(cc(c1)C)C
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	8.1088 ± 0.0007 Å
b	11.4874 ± 0.001 Å
c	28.225 ± 0.003 Å
α	90°
β	94.317 ± 0.002°
γ	90°
Cell volume	2621.7 ± 0.4 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4074548.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074548.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.	4074548.cif