Crystallography Open Database

Information card for entry 7009404

Preview

Coordinates	7009404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H16 Al2 N2 O11 P2
Calculated formula	C3 H14 Al2 N2 O11 P2
Title of publication	Synthesis and structural characterisation of a new layered aluminophosphate [C3H12N2][Al2P2O8(OH)2]·H2O
Authors of publication	Yuan, Hong-Ming; Chen, Jie-Sheng; Shi, Zhan; Chen, Wei; Wang, Ying; Zhang, Ping; Yu, Ji-Hong; Xu, Ru-Ren
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	13
Pages of publication	1981
a	10.001 ± 0.003 Å
b	6.712 ± 0.0013 Å
c	18.633 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1250.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179798 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94.	7009404.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009404.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009404.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009404.cif