Crystallography Open Database

Information card for entry 7716845

Preview

Coordinates	7716845.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LAH070
Formula	C38 H44 Fe N6 O2
Calculated formula	C38 H44 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	12.26012 ± 0.00012 Å
b	34.8934 ± 0.0003 Å
c	8.50505 ± 0.00008 Å
α	90°
β	100.161 ± 0.0008°
γ	90°
Cell volume	3581.37 ± 0.06 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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.	7716845.cif
294141	2024-08-16	cif/ Adding structures of 7716844, 7716845 via cif-deposit CGI script.	7716845.cif