Crystallography Open Database

Information card for entry 2243917

Preview

Coordinates	2243917.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1)
Formula	C34 H39 Cl Fe4 N4 O17
Calculated formula	C34 H39 Cl Fe4 N4 O17
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	11.846 ± 0.0006 Å
b	15.5041 ± 0.0007 Å
c	12.6425 ± 0.0006 Å
α	90°
β	115.449 ± 0.001°
γ	90°
Cell volume	2096.64 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	2243917.cif
269147	2021-09-15	cif/ hkl/ Adding structures of 2243916, 2243917 via cif-deposit CGI script.	2243917.cif