Crystallography Open Database

Information card for entry 7712943

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Coordinates	7712943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H41 Fe I O2 S2 Si2
Calculated formula	C24 H41 Fe I O2 S2 Si2
SMILES	[Fe]12345678([c]9([cH]1[c]2(I)[cH]3[c]49S(=O)C(C)(C)C)[Si](C)(C)C)[c]1([cH]5[cH]6[cH]7[c]81S(=O)C(C)(C)C)[Si](C)(C)C
Title of publication	From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.
Authors of publication	Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	12
Pages of publication	3725 - 3737
a	11.8827 ± 0.0007 Å
b	11.1068 ± 0.0005 Å
c	13.1403 ± 0.0007 Å
α	90°
β	94.755 ± 0.002°
γ	90°
Cell volume	1728.27 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation probe	x-ray
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
282981 (current)	2023-05-04	cif/ Adding structures of 7712936, 7712937, 7712938, 7712939, 7712940, 7712941, 7712942, 7712943 via cif-deposit CGI script.	7712943.cif