Crystallography Open Database

Information card for entry 7014855

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Coordinates	7014855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H51.5 Mn N5 O8.75
Calculated formula	C32 H48 Mn N5 O8.75
Title of publication	Synthesis and self-assembly of spin-labile and redox-active manganese(iii) complexes.
Authors of publication	Gandolfi, Claudio; Cotting, Tatiana; Martinho, Paulo N.; Sereda, Olha; Neels, Antonia; Morgan, Grace G.; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	9
Pages of publication	1855 - 1865
a	20.6789 ± 0.0018 Å
b	7.4435 ± 0.0004 Å
c	25.026 ± 0.002 Å
α	90°
β	106.542 ± 0.007°
γ	90°
Cell volume	3692.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2028
Residual factor for significantly intense reflections	0.1163
Weighted residual factors for significantly intense reflections	0.2808
Weighted residual factors for all reflections included in the refinement	0.3279
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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