Crystallography Open Database

Information card for entry 2204261

2204260 << 2204261 >> 2204262

Preview

Coordinates	2204261.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(tetradecylammonium) 7-hydroxy-8-phenyldiazenyl-7,8-dihydronaphthalene-1,3-disulfonate 1.8-hydrate
Formula	C50 H89.6 N4 O8.8 S2
Calculated formula	C50 H89.606 N4 O8.803 S2
Title of publication	Bis[trimethyl(tetradecyl)ammonium] 7-hydroxy-8-phenyldiazenyl-7,8-dihydronaphthalene-1,3-disulfonate 1.8-hydrate: ionic self-assembly
Authors of publication	Faul, Charl F. J.; Antonietti, Markus; Massa, Werner
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1769 - o1772
a	8.2811 ± 0.0014 Å
b	13.071 ± 0.002 Å
c	25.204 ± 0.004 Å
α	85.82 ± 0.01°
β	87.96 ± 0.01°
γ	82.54 ± 0.01°
Cell volume	2696.9 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.195
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	0.745
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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