Crystallography Open Database

Information card for entry 7003435

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Coordinates	7003435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H111 Al O8 Ti6
Calculated formula	C63 H97 Al O8 Ti6
Title of publication	Group 13 organoderivatives supported on a metallic oxide model
Authors of publication	González-del Moral, Octavio; Hernán-Gómez, Alberto; Martín, Avelino; Mena, Miguel; Santamaría, Cristina
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	1
Pages of publication	44
a	24.039 ± 0.007 Å
b	26.797 ± 0.007 Å
c	13.441 ± 0.008 Å
α	90°
β	101.57 ± 0.05°
γ	90°
Cell volume	8482 ± 6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1058
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003435.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003435.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003435.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003435.cif