Crystallography Open Database

Information card for entry 4327306

Preview

Coordinates	4327306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H42 O10 Ti2
Calculated formula	C20 H42 O10 Ti2
Title of publication	Air-Stable Titanium Alkoxide Based Metal-Organic Framework as an Initiator for Ring-Opening Polymerization of Cyclic Esters
Authors of publication	Christopher J. Chuck; Matthew G. Davidson; Matthew D. Jones; Gabriele Kociok-Köhn; Matthew D. Lunn; Stephen Wu
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	6595 - 6597
a	10.991 ± 0.0002 Å
b	9.271 ± 0.0002 Å
c	12.335 ± 0.0002 Å
α	90°
β	100.976 ± 0.001°
γ	90°
Cell volume	1233.91 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327306.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327306.cif
61022	2012-06-20	cif/ Adding structures of 4327306 via cif-deposit CGI script.	4327306.cif