Crystallography Open Database

Information card for entry 4308432

Preview

Coordinates	4308432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H48 Ga5.48 N6 O46 P10 Ti2.52
Calculated formula	C12 H48 Ga5.474 N6 O46 P10 Ti2.526
Title of publication	New Titanium and Nickel Gallophosphates with Layered Structures
Authors of publication	Lin, Chia-Her; Wang, Sue-Lein
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	251 - 257
a	25.692 ± 0.002 Å
b	9.6552 ± 0.0008 Å
c	9.8418 ± 0.0008 Å
α	90°
β	96.737 ± 0.002°
γ	90°
Cell volume	2424.5 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
210150 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4301044-4301047, 4308430-4308433. Marking entries 4301044-4301047 as duplicates of entries 4308430-4308433.	4308432.cif
179122	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84.	4308432.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4308432.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308432.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308432.cif
32063	2012-01-26	cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct.	4308432.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4308432.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308432.cif