Crystallography Open Database

Information card for entry 7718761

Preview

Coordinates	7718761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.5 H18.5 Cl1.5 N4 O5
Calculated formula	C10.5 H18.5 Cl1.5 N4 O5
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	20.5159 ± 0.0018 Å
b	11.157 ± 0.0009 Å
c	25.254 ± 0.002 Å
α	90°
β	97.915 ± 0.005°
γ	90°
Cell volume	5725.5 ± 0.8 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1266
Residual factor for significantly intense reflections	0.1017
Weighted residual factors for significantly intense reflections	0.2565
Weighted residual factors for all reflections included in the refinement	0.273
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	7718761.cif
299752	2025-05-21	cif/ Adding structures of 7718760, 7718761, 7718762, 7718763, 7718764, 7718765 via cif-deposit CGI script.	7718761.cif