Crystallography Open Database

Information card for entry 1551743

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Structure parameters

Formula	C30 H8 F20 O10 Rh2
Calculated formula	C30 H8 F20 O10 Rh2
SMILES	[Rh]1234([Rh]([O]=C(O1)c1c(c(c(c(c1F)F)F)F)F)(OC(=[O]2)c1c(c(c(c(c1F)F)F)F)F)([O]=C(O3)c1c(c(c(c(c1F)F)F)F)F)(OC(=[O]4)c1c(c(c(c(c1F)F)F)F)F)[OH]C)[OH]C
Title of publication	Synthesis and Crystal Structure of Rhodium(II) Pentafluorobenzoate Dimer with Axial Methanol Molecules
Authors of publication	HANDA, Makoto; ISHITOBI, Yoshiyuki; MORIYAMA, Kazutaka; IKEUE, Takahisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro
Journal of publication	X-ray Structure Analysis Online
Year of publication	2011
Journal volume	27
Pages of publication	49
a	7.889 ± 0.003 Å
b	34.808 ± 0.014 Å
c	12.983 ± 0.005 Å
α	90°
β	103.93 ± 0.007°
γ	90°
Cell volume	3460 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551743.cif
216355	2019-06-20	cif/ Adding structures of 1551743 via cif-deposit CGI script.	1551743.cif