Crystallography Open Database

Information card for entry 7705271

Preview

Coordinates	7705271.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Fe3Co6Se8(Ph2PNiPr)6
Formula	C105.75 H125.5 Co6 Fe3 N6 P6 Se8
Calculated formula	C105.752 H125.496 Co6 Fe3 N6 P6 Se8
Title of publication	Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.
Authors of publication	Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	45
Pages of publication	16464 - 16473
a	29.1239 ± 0.0018 Å
b	14.1669 ± 0.001 Å
c	26.9352 ± 0.0018 Å
α	90°
β	102.301 ± 0.003°
γ	90°
Cell volume	10858.2 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0948
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
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
260793 (current)	2021-01-07	cif/ Updating files of 7705267, 7705268, 7705269, 7705270, 7705271, 7705272, 7705273 Original log message: Adding full bibliography for 7705267--7705273.cif.	7705271.cif
255647	2020-08-26	cif/ Adding structures of 7705267, 7705268, 7705269, 7705270, 7705271, 7705272, 7705273 via cif-deposit CGI script.	7705271.cif