Crystallography Open Database

Information card for entry 7100123

Preview

Coordinates	7100123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H62 B20 Cl4 Ir2 N2 S4
Calculated formula	C36 H62 B20 Cl4 Ir2 N2 S4
SMILES	c1cc(cc[n]1[Ir]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)S[C]1234[BH]678[BH]9%101[BH]1%112[BH]2%123[C]348([BH]486[BH]679[BH]7%101[BH]1%112[BH]%1234[BH]8671)S5)c1cc[n](cc1)[Ir]12345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)S[C]1345[BH]678[BH]9%101[BH]1%113[BH]3%124[C]458([BH]586[BH]679[BH]7%101[BH]1%113[BH]%1245[BH]8671)S2.C(Cl)Cl.C(Cl)Cl
Title of publication	Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands
Authors of publication	Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang
Journal of publication	Chemical Communications
Year of publication	2005
a	10.223 ± 0.002 Å
b	11.336 ± 0.002 Å
c	13.688 ± 0.003 Å
α	101.052 ± 0.002°
β	109.107 ± 0.003°
γ	94.826 ± 0.003°
Cell volume	1452.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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