Crystallography Open Database

Information card for entry 7706285

Preview

Coordinates	7706285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H25.5 B2 F30.5 Fe O4 P2
Calculated formula	C51 H25.5 B2 F30.5 Fe O4 P2
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	12.4374 ± 0.0009 Å
b	14.0427 ± 0.0009 Å
c	15.3107 ± 0.001 Å
α	84.826 ± 0.002°
β	83.992 ± 0.003°
γ	80.351 ± 0.003°
Cell volume	2614.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.92 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
260520 (current)	2021-01-05	cif/ Adding structures of 7706284, 7706285, 7706286 via cif-deposit CGI script.	7706285.cif