Crystallography Open Database

Information card for entry 7100766

Preview

Coordinates	7100766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 Br4 Cl24
Calculated formula	C60 Br4 Cl24
SMILES	C12C3(C4=C5C2(C2=C6C7(C8=C9C%10(C%11=C%12C%13(C%14=C%15C%16(C%17=C(C4(C4C%17(C%17=C%18C%19(C%20=C(C2(C7=C2C9(C7=C(C%202Cl)C%18(C(C%15%17Cl)=C%13C%117Cl)Cl)Cl)Cl)C5(C=4%19)Cl)Cl)Cl)Cl)C2(C3=C3C4(C2=C%16C%14(C2=C4C4(C(C%122Cl)=C%10C8(C2=C4C3(C=1C62Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.BrBr.BrBr
Title of publication	Preparation and crystallographic characterization of C60Cl24
Authors of publication	Sergey Troyanov; Erhard Kemnitz; Alex A. Popov; Natalia B. Shustova; L. N. Sidorov; Andrew P. Turnbull
Journal of publication	Chemical Communications
Year of publication	2005
a	12.2 ± 0.001 Å
b	12.484 ± 0.001 Å
c	12.591 ± 0.001 Å
α	60.433 ± 0.004°
β	62.908 ± 0.005°
γ	84.406 ± 0.005°
Cell volume	1464.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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