Crystallography Open Database

Information card for entry 7707177

Preview

Coordinates	7707177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Fe N6 O6 S2 Se2
Calculated formula	C36 H32 Fe N6 O6 S2 Se2
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	19.7511 ± 0.0006 Å
b	7.8183 ± 0.0002 Å
c	26.7494 ± 0.0007 Å
α	90°
β	96.254 ± 0.002°
γ	90°
Cell volume	4106.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7707177.cif
264437	2021-04-23	cif/ Adding structures of 7707175, 7707176, 7707177, 7707178 via cif-deposit CGI script.	7707177.cif