Crystallography Open Database

Information card for entry 7704682

Preview

Coordinates	7704682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Au2 Fe N8
Calculated formula	C14 H12 Au2 Fe N8
Title of publication	A novel two-step Fe-Au type spin-crossover behavior in a Hofmann-type coordination complex {Fe(4-methylpyrimidine)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub>}.
Authors of publication	Kitase, Kosuke; Kitazawa, Takafumi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12210 - 12214
a	9.5273 ± 0.0009 Å
b	14.8094 ± 0.0015 Å
c	13.5467 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1911.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
257561 (current)	2020-10-06	cif/ Updating files of 7704681, 7704682, 7704683 Original log message: Adding full bibliography for 7704681--7704683.cif.	7704682.cif
253286	2020-06-20	cif/ Adding structures of 7704681, 7704682, 7704683 via cif-deposit CGI script.	7704682.cif