Crystallography Open Database

Information card for entry 4061108

Preview

Coordinates	4061108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H58 B Cl Ir2 S2
Calculated formula	C53 H58 B Cl Ir2 S2
SMILES	[Ir]1234567([Ir]89%10%11([S]=C(S1)c1ccc(Cl)cc1)([c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)(C6)C7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)
Authors of publication	Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	22
Pages of publication	5347 - 5352
a	11.608 ± 0.002 Å
b	11.874 ± 0.002 Å
c	17.974 ± 0.003 Å
α	95.436 ± 0.003°
β	99.04 ± 0.004°
γ	104.671 ± 0.004°
Cell volume	2343.2 ± 0.8 Å³
Cell temperature	193.2 K
Number of distinct elements	6
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

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