Crystallography Open Database

Information card for entry 7707176

Preview

Coordinates	7707176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Fe N6 O4 S4
Calculated formula	C42 H24 Fe N6 O4 S4
Title of publication	Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.
Authors of publication	Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	22
Pages of publication	7725 - 7735
a	13.5275 ± 0.0006 Å
b	28.0006 ± 0.0013 Å
c	27.7775 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	10521.5 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
267159 (current)	2021-07-05	cif/ Updating files of 7707175, 7707176, 7707177, 7707178 Original log message: Adding full bibliography for 7707175--7707178.cif.	7707176.cif
264437	2021-04-23	cif/ Adding structures of 7707175, 7707176, 7707177, 7707178 via cif-deposit CGI script.	7707176.cif