Crystallography Open Database

Information card for entry 2243916

Preview

Coordinates	2243916.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)
Formula	C73 H79.94 F2 Fe8 N9 O32.47
Calculated formula	C73 H79.944 F2 Fe8 N9 O32.472
Title of publication	Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)
Authors of publication	Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	10
Pages of publication	1003 - 1009
a	31.676 ± 0.002 Å
b	44.806 ± 0.003 Å
c	12.6056 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	17891 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
271922 (current)	2022-01-07	cif/ Updating files of 2243916, 2243917 Original log message: Adding full bibliography for 2243916--2243917.cif.	2243916.cif
269147	2021-09-15	cif/ hkl/ Adding structures of 2243916, 2243917 via cif-deposit CGI script.	2243916.cif