Crystallography Open Database

Information card for entry 4130002

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Coordinates	4130002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H32.5 Cl2 F6 Fe N3
Calculated formula	C32.5 H32.5 Cl2 F6 Fe N3
Title of publication	Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.
Authors of publication	Iovan, Diana A.; Betley, Theodore A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	6
Pages of publication	1983 - 1993
a	22.108 ± 0.003 Å
b	11.9657 ± 0.0017 Å
c	25.005 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6614.8 ± 1.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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