Crystallography Open Database

Information card for entry 7707657

Preview

Coordinates	7707657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H148 Fe2 N6 O4.5 P4
Calculated formula	C92 H148 Fe2 N6 O4.5 P4
Title of publication	Double α,α CH bond insertion into sp<sup>3</sup> CH<sub>2</sub> moiety: synthesis of a Fe carbene bis-hydride dinitrogen complex.
Authors of publication	Petit, Julien; Cavaillé, Anthony; Saffon-Merceron, Nathalie; Fustier-Boutignon, Marie; Mézailles, Nicolas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	27
Pages of publication	9554 - 9559
a	13.3756 ± 0.0011 Å
b	15.4294 ± 0.0011 Å
c	22.9638 ± 0.0019 Å
α	104.573 ± 0.002°
β	95.791 ± 0.003°
γ	98.177 ± 0.002°
Cell volume	4493.7 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268732 (current)	2021-09-06	cif/ Updating files of 7707656, 7707657 Original log message: Adding full bibliography for 7707656--7707657.cif.	7707657.cif
266453	2021-06-15	cif/ Adding structures of 7707656, 7707657 via cif-deposit CGI script.	7707657.cif