Crystallography Open Database

Information card for entry 4300524

Preview

Coordinates	4300524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H78 As2 Cl2 Cu2 N8 O12
Calculated formula	C77 H78 As2 Cl2 Cu2 N8 O12
SMILES	[As]123(Oc4c(O2)cccc4)(Oc2ccccc2O1)Oc1ccccc1O3.[As]123(Oc4c(O3)cccc4)(Oc3ccccc3O1)Oc1ccccc1O2.[Cu]1234[Cu]56([N](CC[N]2=Cc2[n]1c(ccc2)C(C)C)=Cc1[n]5c(ccc1)C(C)C)[N](CC[N]4=Cc1[n]3c(ccc1)C(C)C)=Cc1[n]6c(ccc1)C(C)C.ClCCl
Title of publication	Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases
Authors of publication	Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	12.3419 ± 0.0002 Å
b	25.9815 ± 0.0004 Å
c	12.4508 ± 0.0002 Å
α	90°
β	111.332 ± 0.0007°
γ	90°
Cell volume	3718.94 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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