Crystallography Open Database

Information card for entry 4319531

4319530 << 4319531 >> 4319532

Preview

Coordinates	4319531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H59 N5 O8 Ti2
Calculated formula	C70 H56 N5 O8 Ti2
Title of publication	Covalent Titanium Aryldioxy One-, Two-, and Three-Dimensional Networks and Their Examination as Ziegler-Natta Catalysts
Authors of publication	Joseph M. Tanski; Peter T. Wolczanski
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2026 - 2033
a	10.814 ± 0.002 Å
b	16.785 ± 0.003 Å
c	18.02 ± 0.004 Å
α	93.88 ± 0.03°
β	107.31 ± 0.03°
γ	108.77 ± 0.03°
Cell volume	2907.9 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	101 ± 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	0.0728
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.626
Diffraction radiation wavelength	0.909 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179275 (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 4/31/95.	4319531.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319531.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319531.cif
16331	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319531 via cif-deposit CGI script.	4319531.cif