Crystallography Open Database

Information card for entry 7046118

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Structure parameters

Formula	C37 H47 Cl Fe N6 O8.5
Calculated formula	C37 H47 Cl Fe N6 O8.5
Title of publication	Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease.
Authors of publication	Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	21
Pages of publication	7190 - 7205
a	11.0978 ± 0.0009 Å
b	12.7887 ± 0.001 Å
c	14.2619 ± 0.0012 Å
α	77.005 ± 0.007°
β	81.372 ± 0.007°
γ	87.444 ± 0.007°
Cell volume	1949.9 ± 0.3 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.0733
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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