Crystallography Open Database

Information card for entry 4310467

Preview

Coordinates	4310467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H50 Al Cl2 N2 P
Calculated formula	C41 H50 Al Cl2 N2 P
SMILES	Cl[Al]1(Cl)[N](=C(C)C(P(c2ccccc2)c2ccccc2)=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Structures of Complexes Demonstrating the Coordinative Versatility of the 2,4-Diimino-3-phosphinopentene Anion (γ-Phosphino-β-diketiminate)
Authors of publication	Neil Burford; Mark D'eon; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	734 - 738
a	18.3867 ± 0.0011 Å
b	20.2465 ± 0.0012 Å
c	21.232 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7904 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.1092
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation probe	x-ray
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
179143 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/04.	4310467.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310467.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310467.cif
1955	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310467 via cif-deposit CGI script.	4310467.cif