Crystallography Open Database

Information card for entry 7242963

Preview

Coordinates	7242963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 N2 O5 Re
Calculated formula	C15 H19 N2 O5 Re
SMILES	[Re]1234([c]5([cH]1[cH]2[cH]3[cH]45)C1N(O)C(C)(C)C(C)(C)N1O)(C#[O])(C#[O])C#[O]
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	10.3946 ± 0.0004 Å
b	7.1672 ± 0.0003 Å
c	22.2958 ± 0.0008 Å
α	90°
β	94.2819 ± 0.0011°
γ	90°
Cell volume	1656.4 ± 0.11 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 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	0.0278
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7242963.cif