Crystallography Open Database

Information card for entry 1563553

Preview

Coordinates	1563553.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SIZ-18
Formula	C7 H10 Al N O8 P2
Calculated formula	C7 H10 Al N O8 P2
Title of publication	Ionothermal synthesis and crystal structures of metal phosphate chains
Authors of publication	Wragg, David S.; Le Ouay, Benjamin; Beale, Andrew M.; O-Brien, Matthew G.; Slawin, Alexandra M.Z.; Warren, John E.; Prior, Timothy J.; Morris, Russell E.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	7
Pages of publication	1625 - 1631
a	7.8237 ± 0.0014 Å
b	14.2901 ± 0.0017 Å
c	12.7884 ± 0.0014 Å
α	90°
β	118.184 ± 0.014°
γ	90°
Cell volume	1260.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0647
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	1.54051 Å
Diffraction radiation type	copper
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266531 (current)	2021-06-17	cif/ Adding structures of 1563553, 1563554, 1563555 via cif-deposit CGI script.	1563553.cif