Crystallography Open Database

Information card for entry 4069657

Preview

Coordinates	4069657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Al2 Ca O2
Calculated formula	C24 H56 Al2 Ca O2
SMILES	C(C)[Al](CC)(CC)[CH2](C)[Ca]([O]1CCCC1)([O]1CCCC1)[CH2](C)[Al](CC)(CC)CC
Title of publication	Alkaline-Earth Metal Alkylaluminate Chemistry Revisited
Authors of publication	Michel, Olaf; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4783
a	14.7336 ± 0.0008 Å
b	14.5164 ± 0.0008 Å
c	14.3334 ± 0.0008 Å
α	90°
β	98.076 ± 0.001°
γ	90°
Cell volume	3035.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
178585 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/96.	4069657.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069657.cif
40379	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069656, 4069657, 4069658, 4069659, 4069660, 4069661 via cif-deposit CGI script.	4069657.cif