Crystallography Open Database

Information card for entry 4126170

Preview

Coordinates	4126170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H114 Fe6.4 N6 Si12
Calculated formula	C42 H114 Fe6.4 N6 Si12
Title of publication	[Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction.
Authors of publication	Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	15
Pages of publication	5596 - 5606
a	14.5261 ± 0.0014 Å
b	14.9231 ± 0.0014 Å
c	19.419 ± 0.002 Å
α	87.674 ± 0.006°
β	84.043 ± 0.006°
γ	62.903 ± 0.004°
Cell volume	3727.1 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1849
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197296 (current)	2017-06-04	cif/ Adding structures of 4126163, 4126164, 4126165, 4126166, 4126167, 4126168, 4126169, 4126170 via cif-deposit CGI script.	4126170.cif