Crystallography Open Database

Information card for entry 4321685

Preview

Coordinates	4321685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H47 N3 O11 Ti3
Calculated formula	C24.498 H44 N3 O11 Ti3
Title of publication	Isolation and Structural Characterization of Triethanolaminotitanatranes: X-ray Structures of Partial Hydrolysis Condensates
Authors of publication	Tim Kemmitt; Najeh I. Al-Salim; Graeme J. Gainsford
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	6067 - 6071
a	10.891 ± 0.002 Å
b	12.417 ± 0.003 Å
c	12.432 ± 0.003 Å
α	81.996 ± 0.003°
β	88.815 ± 0.003°
γ	73.583 ± 0.002°
Cell volume	1596.7 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0516
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321685.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321685.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321685.cif
19450	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321685 via cif-deposit CGI script.	4321685.cif