Crystallography Open Database

Information card for entry 4117554

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Coordinates	4117554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27.6 F6.4 N8 O4
Calculated formula	C28 H27.6 F6.4 N8 O4
Title of publication	Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals
Authors of publication	Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3825 - 3833
a	8.8962 ± 0.0002 Å
b	16.1695 ± 0.0004 Å
c	20.6719 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2973.59 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for significantly intense reflections	0.3311
Weighted residual factors for all reflections included in the refinement	0.3467
Goodness-of-fit parameter for all reflections included in the refinement	2.786
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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