Crystallography Open Database

Information card for entry 4345656

Preview

Coordinates	4345656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H51 B F24 Fe N7 O
Calculated formula	C74 H51 B F24 Fe N7 O
Title of publication	Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.
Authors of publication	Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	4852 - 4863
a	11.646 ± 0.004 Å
b	16.072 ± 0.006 Å
c	20.491 ± 0.006 Å
α	108.756 ± 0.015°
β	96.652 ± 0.01°
γ	101.866 ± 0.014°
Cell volume	3485 ± 2 Å³
Cell temperature	100.03 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
196127 (current)	2017-05-05	cif/ Updating files of 4345651, 4345652, 4345653, 4345654, 4345655, 4345656 Original log message: Adding full bibliography for 4345651--4345656.cif.	4345656.cif
195309	2017-04-11	cif/ Adding structures of 4345651, 4345652, 4345653, 4345654, 4345655, 4345656 via cif-deposit CGI script.	4345656.cif