Crystallography Open Database

Information card for entry 7716844

Preview

Coordinates	7716844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Fe N6 O2
Calculated formula	C42 H48 Fe N6 O2
Title of publication	Tailoring C-H amination activity <i>via</i> modification of the triazole-derived carbene ligand.
Authors of publication	Hudson, Luke A.; Stroek, Wowa; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	35
Pages of publication	14795 - 14800
a	10.1907 ± 0.0002 Å
b	24.2458 ± 0.0004 Å
c	15.4249 ± 0.0003 Å
α	90°
β	95.8494 ± 0.0019°
γ	90°
Cell volume	3791.37 ± 0.12 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
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	0.0655
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295269 (current)	2024-10-06	cif/ Updating files of 7716844, 7716845 Original log message: Adding full bibliography for 7716844--7716845.cif.	7716844.cif
294141	2024-08-16	cif/ Adding structures of 7716844, 7716845 via cif-deposit CGI script.	7716844.cif