Crystallography Open Database

Information card for entry 8000188

Preview

Coordinates	8000188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Au2 F2 Fe N6
Calculated formula	C14 H7 Au2 F2 Fe N6
Title of publication	A Two-step and Hysteretic Spin-crossover Transition in New Cyano-bridged Hetero-metal FeIIAuI 2-Dimensional Assemblage
Authors of publication	Kosone, Takashi; Kachi-Terajima, Chihiro; Kanadani, Chikahide; Saito, Toshiaki; Kitazawa, Takafumi
Journal of publication	Chemistry Letters
Year of publication	2008
Journal volume	37
Journal issue	4
Pages of publication	422
a	9.0141 ± 0.0009 Å
b	13.8546 ± 0.0013 Å
c	15.4343 ± 0.0015 Å
α	90°
β	96.343 ± 0.002°
γ	90°
Cell volume	1915.7 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
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	0.0487
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000188.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000188.cif
94322	2014-01-22	cif/ Adding structures of 8000188 via cif-deposit CGI script.	8000188.cif