Crystallography Open Database

Information card for entry 2009050

2009049 << 2009050 >> 2009051

Preview

Coordinates	2009050.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H34 Al2 N6 O16 P4
Calculated formula	C8 H34 Al2 N6 O16 P4
SMILES	[Al](OP(=O)([O-])O1)OP(=O)([O-])O[Al]1(OP(=O)([O-])[O])OP(=O)([O-])[O].[NH3+]CCC[NH3+].[NH3+]CC[NH3+].[NH3+]CCC[NH3+]
Title of publication	A one-dimensionally extended chain aluminophosphate
Authors of publication	Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	10
Pages of publication	1615 - 1617
a	8.9499 ± 0.0012 Å
b	9.2513 ± 0.0009 Å
c	8.6473 ± 0.0011 Å
α	115.764 ± 0.008°
β	99.704 ± 0.011°
γ	98.247 ± 0.011°
Cell volume	616.35 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0674
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.