Crystallography Open Database

Information card for entry 1563554

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Coordinates	1563554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H13 Al N2 O8 P2
Calculated formula	C6 H13 Al N2 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	8.078 ± 0.004 Å
b	13.111 ± 0.006 Å
c	13.534 ± 0.005 Å
α	90°
β	114.19 ± 0.02°
γ	90°
Cell volume	1307.5 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1703
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.8462 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.	1563554.cif