Crystallography Open Database

Information card for entry 7058515

Preview

Coordinates	7058515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Br2 Fe2 N2
Calculated formula	C22 H16 Br2 Fe2 N2
Title of publication	Assessing the influence of phosphine substituents on the catalytic properties of self-stabilised digold(i) complexes with supporting ferrocene phosphinonitrile ligands
Authors of publication	Bárta, Ondřej; Císařová, Ivana; Schulz, Jiří; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	28
Pages of publication	11258
a	13.757 ± 0.0004 Å
b	10.0313 ± 0.0003 Å
c	14.6288 ± 0.0004 Å
α	90°
β	110.809 ± 0.001°
γ	90°
Cell volume	1887.1 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0447
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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