Crystallography Open Database

Information card for entry 7242432

Preview

Coordinates	7242432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 Fe2 Mn2 N26 O4 S4
Calculated formula	C33 H36 Fe2 Mn2 N26 O4 S4
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	10.20025 ± 0.00011 Å
b	29.0606 ± 0.0003 Å
c	17.5583 ± 0.0002 Å
α	90°
β	106.475 ± 0.0012°
γ	90°
Cell volume	4991.05 ± 0.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7242432.cif
263152	2021-03-19	cif/ Adding structures of 7242428, 7242429, 7242430, 7242431, 7242432, 7242433 via cif-deposit CGI script.	7242432.cif