Crystallography Open Database

Information card for entry 7706286

Preview

Coordinates	7706286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 B F15 Fe O3 P2 S
Calculated formula	C33 H24 B F15 Fe O3 P2 S
SMILES	[FeH]([P](C)(C)C)([P](C)(C)C)(C#[O])(C#[O])C#[O].S(c1ccccc1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Zero valent iron complexes as base partners in frustrated Lewis pair chemistry.
Authors of publication	Tinnermann, Hendrik; Fraser, Craig; Young, Rowan D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15184 - 15189
a	12.5412 ± 0.0004 Å
b	13.0207 ± 0.0004 Å
c	21.9702 ± 0.0007 Å
α	90°
β	90.14 ± 0.001°
γ	90°
Cell volume	3587.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0604
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
260520 (current)	2021-01-05	cif/ Adding structures of 7706284, 7706285, 7706286 via cif-deposit CGI script.	7706286.cif