Crystallography Open Database

Information card for entry 4100657

Preview

Coordinates	4100657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Cl4 Fe4 Ni4 P4 S6
Calculated formula	C36 H84 Cl4 Fe4 Ni4 P4 S6
SMILES	C(CC)[P](CCC)(CCC)[Ni]12345S67[Fe]89%101(Cl)S13[Fe]3%11%125(S5%13[Ni]%14%15%163([P](CCC)(CCC)CCC)[Fe]326(Cl)(S2%14[Fe]6%145%16(S8([Ni]91%12%136[P](CCC)(CCC)CCC)[Ni]7%1032%14[P](CCC)(CCC)CCC)Cl)S4%11%15)Cl
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	19.9487 ± 0.0016 Å
b	19.9487 ± 0.0016 Å
c	26.536 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	9145.2 ± 1.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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