Crystallography Open Database

Information card for entry 7111450

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Coordinates	7111450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 Au2 Fe N8
Calculated formula	C16 Au2 Fe N8
Title of publication	Supramolecular isomerism in spin crossover networks with aurophilic interactions
Authors of publication	Galet, Ana; Muñoz, M. Carmen; Martínez, Víctor; Real, José; Antonio
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	20
Pages of publication	2268 - 2269
a	9.89 ± 0.0008 Å
b	10.582 ± 0.0011 Å
c	10.308 ± 0.0009 Å
α	90°
β	117.91 ± 0.005°
γ	90°
Cell volume	953.31 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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