Crystallography Open Database

Information card for entry 7707869

Preview

Coordinates	7707869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H108 Fe2 K2 N8 O9 P6
Calculated formula	C96 H108 Fe2 K2 N8 O9 P6
Title of publication	Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.
Authors of publication	Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11197 - 11205
a	14.8465 ± 0.0013 Å
b	14.8465 ± 0.0013 Å
c	85.868 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	16391 ± 3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
268741 (current)	2021-09-06	cif/ Updating files of 7707868, 7707869, 7707870, 7707871, 7707872 Original log message: Adding full bibliography for 7707868--7707872.cif.	7707869.cif
267690	2021-07-22	cif/ Adding structures of 7707868, 7707869, 7707870, 7707871, 7707872 via cif-deposit CGI script.	7707869.cif