Crystallography Open Database

Information card for entry 4340427

Preview

Coordinates	4340427.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TiGaPO-1 ?
Formula	C5 H10 Ga N O22 P5 Ti3
Calculated formula	C5 H10 Ga N O22 P5 Ti3
Title of publication	Topotactic oxidation of TiGaPO-1, a pyridine-templated titanium gallophosphate with a new octahedral-tetrahedral 3-D framework structure containing Ti(III)/Ti(IV).
Authors of publication	Chippindale, Ann M.; Grimshaw, Mark R.; Powell, Anthony V.; Cowley, Andrew R.
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4121 - 4123
a	5.0996 ± 0.0001 Å
b	21.2595 ± 0.0006 Å
c	8.9209 ± 0.0003 Å
α	90°
β	90.2394 ± 0.0014°
γ	90°
Cell volume	967.15 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for all reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0368
Goodness-of-fit parameter for all reflections included in the refinement	1.0598
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4340427.cif
119843	2014-07-09	cif/ Adding structures of 4340427, 4340428 via cif-deposit CGI script.	4340427.cif