Crystallography Open Database

Information card for entry 7104440

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Coordinates	7104440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H75 Mn11 O42
Calculated formula	C105 H75 Mn11 O42
Title of publication	Azide groups in high oxidation state Mn carboxylate chemistry: a new Mn(11) complex and its conversion to a Mn(25) azide complex with Me(3)SiN(3).
Authors of publication	Stamatatos, Theocharis C; Vinslava, Alina; Abboud, Khalil A; Christou, George
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	20
Pages of publication	2839 - 2841
a	28.247 ± 0.003 Å
b	26.842 ± 0.003 Å
c	31.92 ± 0.004 Å
α	90°
β	104.655 ± 0.003°
γ	90°
Cell volume	23414 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1777
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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