Crystallography Open Database

Information card for entry 4316505

Preview

Coordinates	4316505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 Al4 Cl4 O3 Ti3
Calculated formula	C40 H72 Al4 Cl4 O3 Ti3
Title of publication	Incorporation of Boron, Aluminum, and Gallium Derivatives into [{Ti(η5-C5Me5)(μ-O)}3(μ3-CR)] (R = H, Me)
Authors of publication	Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8401 - 8410
a	16.814 ± 0.007 Å
b	16.596 ± 0.003 Å
c	18.807 ± 0.008 Å
α	90°
β	96.14 ± 0.02°
γ	90°
Cell volume	5218 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.1583
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.207
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
179245 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/65.	4316505.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316505.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316505.cif
9708	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316505 via cif-deposit CGI script.	4316505.cif