Crystallography Open Database

Information card for entry 7242433

Preview

Coordinates	7242433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Fe Mn N13 O2 S2
Calculated formula	C18 H21 Fe Mn N13 O2 S2
Title of publication	Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks
Authors of publication	Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	14
Pages of publication	2733 - 2745
a	10.98926 ± 0.00013 Å
b	15.42554 ± 0.00014 Å
c	16.6133 ± 0.0002 Å
α	90°
β	108.952 ± 0.0013°
γ	90°
Cell volume	2663.54 ± 0.06 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
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	0.0256
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
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
265970 (current)	2021-06-05	cif/ Updating files of 7242428, 7242429, 7242430, 7242431, 7242432, 7242433 Original log message: Adding full bibliography for 7242428--7242433.cif.	7242433.cif
263152	2021-03-19	cif/ Adding structures of 7242428, 7242429, 7242430, 7242431, 7242432, 7242433 via cif-deposit CGI script.	7242433.cif