Crystallography Open Database

Information card for entry 7709875

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Coordinates	7709875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H30 B4 F40 Fe N4
Calculated formula	C68 H30 B4 F40 Fe N4
Title of publication	Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO
Authors of publication	Esarte Palomero, Orhi; Jones, Richard A.
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.8703 ± 0.0003 Å
b	13.4644 ± 0.0003 Å
c	20.3086 ± 0.0004 Å
α	90°
β	98.19 ± 0.002°
γ	90°
Cell volume	3754.06 ± 0.14 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	6
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	0.0752
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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