Crystallography Open Database

Information card for entry 7038663

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Coordinates	7038663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 N4 O2
Calculated formula	C32 H33 N4 O2
Title of publication	A stable open-shell redox active ditopic ligand.
Authors of publication	Bonanno, N. M.; Lough, A. J.; Prosser, K. E.; Walsby, C. J.; Poddutoori, P. K.; Lemaire, M. T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	13
Pages of publication	5460 - 5463
a	13.6166 ± 0.0003 Å
b	12.5766 ± 0.0003 Å
c	16.6119 ± 0.0004 Å
α	90°
β	112.119 ± 0.001°
γ	90°
Cell volume	2635.43 ± 0.11 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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