Crystallography Open Database

Information card for entry 4129689

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Coordinates	4129689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H57 Fe N3
Calculated formula	C40 H57 Fe N3
Title of publication	Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.
Authors of publication	Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	44
Pages of publication	14196 - 14207
a	10.8742 ± 0.0008 Å
b	30.161 ± 0.002 Å
c	11.4324 ± 0.0008 Å
α	90°
β	108.326 ± 0.001°
γ	90°
Cell volume	3559.4 ± 0.4 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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