Crystallography Open Database

Information card for entry 7128455

Preview

Coordinates	7128455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H120 Fe2 N16 O P4
Calculated formula	C60 H120 Fe2 N16 O P4
SMILES	[Fe]123([Fe](O1)(N=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)([N]2=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)[N]3=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)N=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1
Title of publication	Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.
Authors of publication	Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	54
Pages of publication	6664 - 6667
a	13.069 ± 0.002 Å
b	13.56 ± 0.002 Å
c	21.307 ± 0.004 Å
α	100.59 ± 0.007°
β	95.542 ± 0.007°
γ	109.567 ± 0.006°
Cell volume	3445.9 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0883
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1199
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
268595 (current)	2021-09-06	cif/ Updating files of 7128454, 7128455, 7128456, 7128457, 7128458 Original log message: Adding full bibliography for 7128454--7128458.cif.	7128455.cif
266236	2021-06-08	cif/ Adding structures of 7128454, 7128455, 7128456, 7128457, 7128458 via cif-deposit CGI script.	7128455.cif