Crystallography Open Database

Information card for entry 4340428

Preview

Coordinates	4340428.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TiGaPO-1a ?
Formula	C5 H9 Ga N O22 P5 Ti3
Calculated formula	C5 H9 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	5.1028 ± 0.0002 Å
b	21.1626 ± 0.0007 Å
c	8.8581 ± 0.0004 Å
α	90°
β	89.9965 ± 0.0016°
γ	90°
Cell volume	956.57 ± 0.07 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for all reflections	0.0727
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.0995
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
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.	4340428.cif
119843	2014-07-09	cif/ Adding structures of 4340427, 4340428 via cif-deposit CGI script.	4340428.cif