Crystallography Open Database

Information card for entry 9015559

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Structure parameters

Formula	C76.588 S48
Calculated formula	C76.59 S48
SMILES	S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.S1SSSSSSS1.c12c3c4c5c6c7c3c3c8c1c1c9c%10c2c2c4c4c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%17c%14c%14c%12c(c%12c%14c%21c%14c%20c%17c%20c(c%21c8c1c1c8c%21c(c%18c%18c%16c%16c%21c%15c%13c%13c%11c2c2c%13c%21c%11c%16c(c8%18)c1c9c%11c%102)c%19%20)c3c%17c7c%14c6%12)c54
Title of publication	Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes _cod_database_code 1001668
Authors of publication	Michel, R.; Kappes, M.; Adelmann, P.; Roth, G.
Journal of publication	Angewandte Chemie
Year of publication	1994
Journal volume	106
Pages of publication	1742 - 1746
a	10.41 Å
b	20.5 Å
c	19.48 Å
α	90°
β	98.8°
γ	90°
Cell volume	4108.19 Å³
Number of distinct elements	2
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Duplicate of	1001668
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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