Crystallography Open Database

Information card for entry 8000087

Preview

Coordinates	8000087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 Cl2 O8 Si4 Ti2
Calculated formula	C27 H37 Cl2 O8 Si4 Ti2
Title of publication	Synthesis and Structures of the First Titanium(IV) Complexes with Cyclic Tetrasiloxide Ligands: Incomplete and Complete Cage Titanosiloxanes
Authors of publication	Hirotsu, Masakazu; Taruno, Shinsuke; Yoshimura, Takashi; Ueno, Keiji; Unno, Masafumi; Matsumoto, Hideyuki
Journal of publication	Chemistry Letters
Year of publication	2005
Journal volume	34
Journal issue	11
Pages of publication	1542
a	13.071 ± 0.008 Å
b	13.186 ± 0.011 Å
c	13.487 ± 0.011 Å
α	115.471 ± 0.01°
β	95.79 ± 0.009°
γ	114.59 ± 0.01°
Cell volume	1794 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000087.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000087.cif
94243	2014-01-22	cif/ Adding structures of 8000086, 8000087 via cif-deposit CGI script.	8000087.cif