Crystallography Open Database

Information card for entry 7045976

Preview

Coordinates	7045976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 F12 Fe N12 O2 P2
Calculated formula	C30 H30 F12 Fe N12 O2 P2
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	15.8913 ± 0.0015 Å
b	15.8913 ± 0.0015 Å
c	14.8198 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3742.5 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.1493
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7045976.cif
207255	2018-04-07	cif/ Adding structures of 7045974, 7045975, 7045976 via cif-deposit CGI script.	7045976.cif