Crystallography Open Database

Information card for entry 7712358

Preview

Coordinates	7712358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H52 F12 Fe2 N10 O13 S4
Calculated formula	C62 H42 F12 Fe2 N10 O12 S4
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	14.191 ± 0.003 Å
b	12.9 ± 0.003 Å
c	19.623 ± 0.004 Å
α	90°
β	98.6 ± 0.03°
γ	90°
Cell volume	3551.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1238
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283333 (current)	2023-05-05	cif/ Updating files of 7712357, 7712358 Original log message: Adding full bibliography for 7712357--7712358.cif.	7712358.cif
281085	2023-02-22	cif/ Adding structures of 7712357, 7712358 via cif-deposit CGI script.	7712358.cif