Crystallography Open Database

Information card for entry 4030920

Preview

Coordinates	4030920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 N6 O22 P6
Calculated formula	C32 N6 O22 P6
SMILES	c1cc2c(c([NH3+])c1)cccc2.[NH3+]CCCCCC[NH3+].P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O.O.c12c(cccc1cccc2)[NH3+].[NH3+]CCCCCC[NH3+].O.O
Title of publication	Synthesis and crystal structure of(1,6-NH~3~C~6~H~12~NH~3~)~2~(1-NH~3~C~10~H~7~)~2~P~6~O~18~ · 2H~2~O
Authors of publication	Marouani, H.; Rzaigui, M.; Bagieu-Beucher, M.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1998
Journal volume	35
Journal issue	6-7
Pages of publication	459 - 471
a	11.862 ± 0.002 Å
b	10.104 ± 0.001 Å
c	19.664 ± 0.006 Å
α	90°
β	96.44 ± 0.02°
γ	90°
Cell volume	2341.9 ± 0.9 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.036
Diffraction radiation probe	x-ray
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
182189 (current)	2016-04-18	cif/4/03/ (antanas@kurmis) Updating bibliography for entries 4030919-4030924.	4030920.cif
178488	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/09.	4030920.cif
135104	2015-04-07	cif/ Adding structures of 4030920 via cif-deposit CGI script.	4030920.cif