Crystallography Open Database

Information card for entry 7036691

Preview

Coordinates	7036691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cu F12 N4 O6
Calculated formula	C23 H23 Cu F12 N4 O6
Title of publication	Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.
Authors of publication	Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	43
Pages of publication	18823 - 18830
a	30.4776 ± 0.0018 Å
b	9.6557 ± 0.0006 Å
c	25.8393 ± 0.0015 Å
α	90°
β	126.221 ± 0.0019°
γ	90°
Cell volume	6134.5 ± 0.7 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
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	0.0551
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171226 (current)	2015-12-09	cif/ Updating files of 7036688, 7036689, 7036690, 7036691, 7036692, 7036693, 7036694 Original log message: Adding full bibliography for 7036688--7036694.cif.	7036691.cif
159046	2015-09-30	cif/ Adding structures of 7036688, 7036689, 7036690, 7036691, 7036692, 7036693, 7036694 via cif-deposit CGI script.	7036691.cif