Crystallography Open Database

Information card for entry 2108284

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Structure parameters

Formula	C18 H24 Au Fe P
Calculated formula	C18 H24 Au Fe P
SMILES	[Au](C#C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)[P](CC)(CC)CC
Title of publication	Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Authors of publication	Makal, Anna
Journal of publication	Acta Crystallographica Section B
Year of publication	2018
Journal volume	74
Journal issue	5
a	14.0011 ± 0.0019 Å
b	11.6244 ± 0.0016 Å
c	21.893 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3563.2 ± 0.8 Å³
Cell temperature	200 ± 0.2 K
Ambient diffraction temperature	200 ± 0.2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
210218 (current)	2018-08-29	cif/ hkl/ Adding structures of 2108281, 2108282, 2108283, 2108284 via cif-deposit CGI script.	2108284.cif 2108284.hkl