Crystallography Open Database

Information card for entry 7711978

7711977 << 7711978 >> 7711979

Preview

Coordinates	7711978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H23 Cl2 F3 Fe N5 O3 S
Calculated formula	C14 H23 Cl2 F3 Fe N5 O3 S
Title of publication	Pyridine modifications regulate the electronics and reactivity of Fe-pyridinophane complexes.
Authors of publication	Mekhail, Magy A.; Pota, Kristof; Kharel, Sugam; Freire, David M.; Green, Kayla N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	892 - 901
a	6.8637 ± 0.0004 Å
b	8.6169 ± 0.0005 Å
c	36.4304 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2154.6 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1189
Residual factor for significantly intense reflections	0.1186
Weighted residual factors for significantly intense reflections	0.2586
Weighted residual factors for all reflections included in the refinement	0.2587
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
283275 (current)	2023-05-05	cif/ Updating files of 7711977, 7711978, 7711979 Original log message: Adding full bibliography for 7711977--7711979.cif.	7711978.cif
279956	2022-12-21	cif/ Adding structures of 7711977, 7711978, 7711979 via cif-deposit CGI script.	7711978.cif