Crystallography Open Database

Information card for entry 4001520

Preview

Coordinates	4001520.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis((μ2-diethylphosphato-O,O')-di-t-butyl-aluminium)
Formula	C40 H56 Al2 O8 P2
Calculated formula	C40 H56 Al2 O8 P2
SMILES	CC([Al]1([O]=P(OC2CCCCC2)(OC2CCCCC2)O[Al]([O]=P(O1)(OC1CCCCC1)OC1CCCCC1)(C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
Title of publication	Organically Modified Aluminum Phosphates: Synthesis and Characterization of Model Compounds Containing Diphenyl Phosphate Ligands
Authors of publication	Florjańczyk, Zbigniew; Lasota, Anna; Wolak, Andrzej; Zachara, Janusz
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	7
Pages of publication	1995
a	12.2213 ± 0.0002 Å
b	18.1079 ± 0.0002 Å
c	20.3613 ± 0.0002 Å
α	90°
β	102.263 ± 0.003°
γ	90°
Cell volume	4403.18 ± 0.11 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.06
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001520.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001520.cif
47589	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001520 via cif-deposit CGI script.	4001520.cif