Crystallography Open Database

Information card for entry 4514705

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Coordinates	4514705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 Fe K N2 P3 Si
Calculated formula	C33 H50 Fe K N2 P3 Si
Title of publication	Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.
Authors of publication	Schild, Dirk J.; Peters, Jonas C.
Journal of publication	ACS catalysis
Year of publication	2019
Journal volume	9
Journal issue	5
Pages of publication	4286 - 4295
a	10.5863 ± 0.0009 Å
b	16.3326 ± 0.0012 Å
c	20.8095 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3598 ± 0.5 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	124.99 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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