Crystallography Open Database

Information card for entry 4330970

Preview

Coordinates	4330970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H127 N2 O10 Ti2
Calculated formula	C78 H123 N2 O10 Ti2
Title of publication	Coordination Chemistry of N,N,N',N'-Tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine Modified Group 4 Metal Alkoxides
Authors of publication	Timothy J. Boyle; Daniel T. Yonemoto; Leigh Anna Steele; Joshua Farrell; Peter Renehan; Taylor Huhta
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12023 - 12031
a	14.3506 ± 0.0009 Å
b	14.3701 ± 0.0009 Å
c	24.9092 ± 0.0016 Å
α	78.638 ± 0.003°
β	79.518 ± 0.003°
γ	66.563 ± 0.003°
Cell volume	4589.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2549
Weighted residual factors for all reflections included in the refinement	0.264
Goodness-of-fit parameter for all reflections included in the refinement	1.656
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
179412 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/09.	4330970.cif
80430	2013-04-07	cif/ Adding structures of 4330970 via cif-deposit CGI script.	4330970.cif