Crystallography Open Database

Information card for entry 7030139

Preview

Coordinates	7030139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H41 B Cl2 F4 Fe P Rh S
Calculated formula	C39 H41 B Cl2 F4 Fe P Rh S
SMILES	[Rh]1234([P]([c]56[c]7([Fe]89%10%11%12%135([cH]7[cH]8[cH]69)[cH]5[cH]%10[cH]%11[cH]%12[cH]%135)C[S]1Cc1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-].C(Cl)Cl
Title of publication	Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.
Authors of publication	Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	38
Pages of publication	11849 - 11859
a	11.539 ± 0.0008 Å
b	12.8367 ± 0.0008 Å
c	13.5655 ± 0.0008 Å
α	108.445 ± 0.006°
β	101.88 ± 0.005°
γ	98.703 ± 0.005°
Cell volume	1813.9 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180007 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/01.	7030139.cif
111544	2014-04-24	cif/ Adding structures of 7030138, 7030139, 7030140 via cif-deposit CGI script.	7030139.cif