Crystallography Open Database

Information card for entry 4060395

Preview

Coordinates	4060395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 B10 Cu P Rh
Calculated formula	C28 H39 B10 Cu P Rh
SMILES	[CH]123[BH]456[Rh]789%10%11%12%132([BH]2%14%151[BH]1%1634[BH]34%14[BH]%14%112([BH]2%11%12[CH]%125%10[BH]561[BH]1%163[BH]2%125[BH]4%14%111)[Cu]%13%15[P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]7CC[CH]8=[CH]9CC1
Title of publication	Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles
Authors of publication	Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2005
a	8.786 ± 0.001 Å
b	14.2795 ± 0.0016 Å
c	24.498 ± 0.002 Å
α	90°
β	93.882 ± 0.004°
γ	90°
Cell volume	3066.5 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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