Crystallography Open Database

Information card for entry 7047021

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Coordinates	7047021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H65 Fe N5 Si4
Calculated formula	C39 H65 Fe N5 Si4
Title of publication	Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.
Authors of publication	Liang, Qiuming; Liu, Nina Jiabao; Song, Datong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	29
Pages of publication	9889 - 9896
a	23.467 ± 0.008 Å
b	10.283 ± 0.003 Å
c	20.491 ± 0.007 Å
α	90°
β	114.286 ± 0.011°
γ	90°
Cell volume	4507 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.2402
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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