Crystallography Open Database

Information card for entry 7234347

Preview

Coordinates	7234347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H22 Au2 Fe N6 S24
Calculated formula	C38 H22 Au2 Fe N6 S24
Title of publication	Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)
Authors of publication	Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7858 - 7864
a	22.892 ± 0.002 Å
b	13.6036 ± 0.0014 Å
c	35.684 ± 0.004 Å
α	90°
β	96.3714 ± 0.0014°
γ	90°
Cell volume	11043.8 ± 1.9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
219066 (current)	2019-10-03	cif/ Adding structures of 7234345, 7234346, 7234347 via cif-deposit CGI script.	7234347.cif