Crystallography Open Database

Information card for entry 4100371

Preview

Coordinates	4100371.cif

Structure parameters

Formula	C60 H62 Fe2 N8 Ru2
Calculated formula	C60 H62 Fe2 N8 Ru2
SMILES	[Ru]1234([Ru]([N](=C(N1C)c1ccccc1)C)([N](=C(N2C)c1ccccc1)C)([N](=C(N3C)c1ccccc1)C)([N](=C(N4C)c1ccccc1)C)C#C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]8[cH]9[cH]71)C#C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61
Authors of publication	Ren, Tong
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	20.363 ± 0.002 Å
b	19.4145 ± 0.0019 Å
c	13.8696 ± 0.0013 Å
α	90°
β	94.4 ± 0.002°
γ	90°
Cell volume	5466.9 ± 0.9 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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