Crystallography Open Database

Information card for entry 7718760

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Coordinates	7718760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H81 Cl2 Mn2 N14 O15
Calculated formula	C37 H81 Cl2 Mn2 N14 O15
Title of publication	Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.
Authors of publication	Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	24
Pages of publication	9530 - 9541
a	18.2215 ± 0.0003 Å
b	13.4869 ± 0.0002 Å
c	21.4452 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5270.19 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300748 (current)	2025-07-06	cif/ Updating files of 7718760, 7718761, 7718762, 7718763, 7718764, 7718765 Original log message: Adding full bibliography for 7718760--7718765.cif.	7718760.cif
299752	2025-05-21	cif/ Adding structures of 7718760, 7718761, 7718762, 7718763, 7718764, 7718765 via cif-deposit CGI script.	7718760.cif