Crystallography Open Database

Information card for entry 1566185

Preview

Coordinates	1566185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Fe2 N2 O9 P4
Calculated formula	C46 H62 Fe2 N2 O9 P4
Title of publication	Anionic 1-Aza-3,4-diphospholides as redox active ligands
Authors of publication	Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg
Journal of publication	Inorganica Chimica Acta
Year of publication	2021
Journal volume	520
Pages of publication	120274
a	10.9061 ± 0.0003 Å
b	14.4034 ± 0.0003 Å
c	18.4848 ± 0.0005 Å
α	103.711 ± 0.0019°
β	91.106 ± 0.002°
γ	112.185 ± 0.002°
Cell volume	2592.93 ± 0.12 Å³
Cell temperature	106.8 ± 0.4 K
Ambient diffraction temperature	106.8 ± 0.4 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	0.0738
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272298 (current)	2022-01-27	cif/ Adding structures of 1566185 via cif-deposit CGI script.	1566185.cif