Crystallography Open Database

Information card for entry 4100391

Preview

Coordinates	4100391.cif

Structure parameters

Formula	C78 H152 B3 F12 N4 O2 Rh
Calculated formula	C78 H152 B3 F12 N4 O2 Rh
SMILES	[Rh]12345678([C]9(=O)[CH]1=[CH]2[C]3(=O)[CH]4=[CH]59)[CH]1=[CH]6CC[CH]7=[CH]8CC1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	13.0062 ± 0.0016 Å
b	13.7917 ± 0.0017 Å
c	25.015 ± 0.003 Å
α	89.6 ± 0.002°
β	75.968 ± 0.002°
γ	89.119 ± 0.002°
Cell volume	4352.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	1
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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