Crystallography Open Database

Information card for entry 4309576

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Coordinates	4309576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 F24 Mn2 N6 O10
Calculated formula	C48 H36 F23.94 Mn2 N6 O10
Title of publication	Cyclic M2(RL)2 Coordination Complexes of 5-(3-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine with Paramagnetic Transition Metal Dications
Authors of publication	Martha Baskett; Paul M. Lahti; Armando Paduan-Filho; Nei F. Oliveira
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6725 - 6735
a	9.457 ± 0.0002 Å
b	10.6507 ± 0.0002 Å
c	16.4342 ± 0.0005 Å
α	79.5093 ± 0.0008°
β	85.0207 ± 0.0008°
γ	65.3736 ± 0.0017°
Cell volume	1479.49 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2514
Weighted residual factors for all reflections included in the refinement	0.2668
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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