Crystallography Open Database

Information card for entry 7042253

Preview

Coordinates	7042253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 Al2 N2 O4 P2
Calculated formula	C60 H72 Al2 N2 O4 P2
SMILES	c1(c(cccc1C(C)C)C(C)C)N(P(c1ccccc1)c1ccccc1)C1=[O][Al](C)(C)OC(N(c2c(cccc2C(C)C)C(C)C)P(c2ccccc2)c2ccccc2)=[O][Al](O1)(C)C.c1ccccc1
Title of publication	"Masked" Lewis-acidity of an aluminum α-phosphinoamide complex.
Authors of publication	Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	11
Pages of publication	3601 - 3610
a	14.055 ± 0.0003 Å
b	12.331 ± 0.0007 Å
c	19.982 ± 0.0009 Å
α	90°
β	126.651 ± 0.004°
γ	90°
Cell volume	2778.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
195103 (current)	2017-04-05	cif/ Updating files of 7042248, 7042249, 7042250, 7042251, 7042252, 7042253 Original log message: Adding full bibliography for 7042248--7042253.cif.	7042253.cif
192712	2017-03-02	cif/ Adding structures of 7042248, 7042249, 7042250, 7042251, 7042252, 7042253 via cif-deposit CGI script.	7042253.cif