Crystallography Open Database

Information card for entry 1563555

Preview

Coordinates	1563555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H25 Al2 N4 O16 P4
Calculated formula	C12 H24 Al2 N4 O16 P4
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	8.079 ± 0.003 Å
b	12.58 ± 0.005 Å
c	12.974 ± 0.005 Å
α	88.51 ± 0.006°
β	86.24 ± 0.006°
γ	79.848 ± 0.006°
Cell volume	1295 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.2525
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.6939 Å
Diffraction radiation type	synchrotron
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.	1563555.cif