Crystallography Open Database

Information card for entry 4317522

Preview

Coordinates	4317522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H67.5 Al N2 O5 P
Calculated formula	C50.2 H64.8 Al N2 O5 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	13.214 ± 0.005 Å
b	13.48 ± 0.005 Å
c	15.347 ± 0.005 Å
α	109.56 ± 0.03°
β	96.48 ± 0.03°
γ	93.56 ± 0.03°
Cell volume	2544.9 ± 1.7 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	0.1522
Residual factor for significantly intense reflections	0.1112
Weighted residual factors for significantly intense reflections	0.3087
Weighted residual factors for all reflections included in the refinement	0.3314
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317522.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317522.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317522.cif
12276	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 4317522 via cif-deposit CGI script.	4317522.cif