Crystallography Open Database

Information card for entry 4317520

Preview

Coordinates	4317520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H64 Al N2 O3 P
Calculated formula	C47 H64 Al N2 O4 P
Title of publication	Ligand-Tetrahydrofuran Coupling in Chelated Aluminum Phosphinates
Authors of publication	Y. Wang; S. Parkin; D. Atwood
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	558 - 565
a	12.142 ± 0.005 Å
b	12.876 ± 0.005 Å
c	15.904 ± 0.005 Å
α	92.15 ± 0.02°
β	107.82 ± 0.02°
γ	107.11 ± 0.02°
Cell volume	2240 ± 1.5 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1357
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179255 (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 4/31/75.	4317520.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317520.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317520.cif
12272	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317520 via cif-deposit CGI script.	4317520.cif