Crystallography Open Database

Information card for entry 7718765

Preview

Coordinates	7718765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H78 Cl2 N14 Ni2 O15
Calculated formula	C36 H78 Cl2 N14 Ni2 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	18.3078 ± 0.0001 Å
b	13.5183 ± 0.0001 Å
c	21.2684 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5263.72 ± 0.07 Å³
Cell temperature	99.97 ± 0.12 K
Ambient diffraction temperature	99.97 ± 0.12 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	0.0648
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7718765.cif
299752	2025-05-21	cif/ Adding structures of 7718760, 7718761, 7718762, 7718763, 7718764, 7718765 via cif-deposit CGI script.	7718765.cif