Crystallography Open Database

Information card for entry 7113358

Preview

Coordinates	7113358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Rh2 S8
Calculated formula	C60 H74 Rh2 S8
SMILES	[S]1[Rh]23456([c]7([c]2([c]3(C)[c]6([c]57C)C)C)C)Sc2c3cc(cc2[S]4c2c1c(Sc1c4c(cc(c1)C(C)(C)C)[S]1c5c(c(cc(c5)C(C)(C)C)S3)S[Rh]35671(S4)[c]1([c]3([c]6([c]7([c]51C)C)C)C)C)cc(c2)C(C)(C)C)C(C)(C)C
Title of publication	Syntheses and structures of mono-, di- and tetranuclear rhodium or iridium complexes of thiacalix[4]arene derivatives.
Authors of publication	Hirata, Kenji; Suzuki, Toshiaki; Noya, Ai; Takei, Izuru; Hidai, Masanobu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2005
Journal issue	29
Pages of publication	3718 - 3720
a	20.712 ± 0.01 Å
b	12.942 ± 0.006 Å
c	13.568 ± 0.006 Å
α	90°
β	99.764 ± 0.006°
γ	90°
Cell volume	3584 ± 3 Å³
Cell temperature	293.1 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	1.225
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113358.cif
114305	2014-05-23	cif/ Adding structures of 7113355, 7113356, 7113357, 7113358 via cif-deposit CGI script.	7113358.cif