Crystallography Open Database

Information card for entry 7045975

Preview

Coordinates	7045975.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe(dipyvd)2PF6
Formula	C34 H36 F6 Fe N14 O2 P
Calculated formula	C34 H36 F6 Fe N14 O2 P
Title of publication	An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes.
Authors of publication	Brook, David J. R.; Fleming, Connor; Chung, Dorothy; Richardson, Cardius; Ponce, Servando; Das, Raja; Srikanth, Hariharan; Heindl, Ranko; Noll, Bruce C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6351 - 6360
a	16.3724 ± 0.0002 Å
b	16.3724 Å
c	14.2233 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3812.63 ± 0.07 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	7
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229866 (current)	2019-11-17	cif/ Updating files of 7045974, 7045975, 7045976 Original log message: Adding full bibliography for 7045974--7045976.cif.	7045975.cif
207255	2018-04-07	cif/ Adding structures of 7045974, 7045975, 7045976 via cif-deposit CGI script.	7045975.cif