Crystallography Open Database

Information card for entry 7718219

Preview

Coordinates	7718219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Fe I N2 O3 P
Calculated formula	C29 H36 Fe I N2 O3 P
Title of publication	Diverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution <i>vs.</i> reduction.
Authors of publication	Feil, Christoph M.; Goerigk, Florian; Stöckl, Yannick; Nieger, Martin; Gudat, Dietrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	5
Pages of publication	1806 - 1814
a	10.5577 ± 0.0004 Å
b	15.8428 ± 0.0006 Å
c	18.8333 ± 0.0006 Å
α	90°
β	99.915 ± 0.002°
γ	90°
Cell volume	3103.07 ± 0.19 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	7
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	0.0446
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297960 (current)	2025-03-04	cif/ Adding structures of 7718217, 7718218, 7718219, 7718220, 7718221, 7718222, 7718223, 7718224, 7718225 via cif-deposit CGI script.	7718219.cif