Crystallography Open Database

Information card for entry 7242965

Preview

Coordinates	7242965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2 O5 Re
Calculated formula	C15 H16 N2 O5 Re
SMILES	[Re]1234(C#[O])(C#[O])(C#[O])[c]5(C6=N(=O)C(C)(C)C(C)(C)[N]6=O)[cH]1[cH]2[cH]3[cH]45
Title of publication	Re(i)-nitroxide complexes
Authors of publication	Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	32
Pages of publication	19902 - 19907
a	17.0007 ± 0.0003 Å
b	10.2467 ± 0.0002 Å
c	20.5719 ± 0.0004 Å
α	90°
β	110.439 ± 0.001°
γ	90°
Cell volume	3358.04 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	0.768
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265776 (current)	2021-06-04	cif/ Adding structures of 7242963, 7242964, 7242965, 7242966, 7242967 via cif-deposit CGI script.	7242965.cif