Crystallography Open Database

Information card for entry 2005610

2005609 << 2005610 >> 2005611

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Coordinates	2005610.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(o-phénylèneamineammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate
Formula	C24 H42 N8 O20 P6
Calculated formula	C24 H42 N8 O20 P6
SMILES	O.P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.c1(c(cccc1)[NH3+])[NH3+].c1(c(cccc1)N)[NH3+].O.c1(c(cccc1)[NH3+])[NH3+].c1(c(cccc1)N)[NH3+]
Title of publication	Bis(<i>o</i>-aminophénylammonium) Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Hexaphosphate Dihydrate
Authors of publication	Soumhi, E. H.; Jouini, T.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2802 - 2805
a	9.8597 ± 0.0008 Å
b	11.522 ± 0.002 Å
c	9.333 ± 0.001 Å
α	92.19 ± 0.01°
β	115.18 ± 0.008°
γ	75.94 ± 0.01°
Cell volume	928.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for all reflections	0.0806
Weighted residual factors for significantly intense reflections	0.0771
Goodness-of-fit parameter for all reflections	1.082
Goodness-of-fit parameter for significantly intense reflections	1.108
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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