Crystallography Open Database

Information card for entry 2010322

2010321 << 2010322 >> 2010323

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Coordinates	2010322.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium] hexachlorodicuprate
Formula	C34 H42 Cl6 Cu2 N8 O6
Calculated formula	C34 H42 Cl6 Cu2 N8 O6
SMILES	c1(nc(nc([o+]1)c1ccccc1)N1CCOCC1)N1CCOCC1.Cl[Cu]1(Cl)[Cl][Cu](Cl)(Cl)[Cl]1.c1([o+]c(nc(n1)N1CCOCC1)c1ccccc1)N1CCOCC1
Title of publication	Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate
Authors of publication	Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	12
Pages of publication	1886 - 1888
a	8.384 ± 0.004 Å
b	17.147 ± 0.004 Å
c	14.889 ± 0.004 Å
α	90°
β	99.26 ± 0.03°
γ	90°
Cell volume	2112.6 ± 1.3 Å³
Cell temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for significantly intense reflections	0.656
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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