Crystallography Open Database

Information card for entry 7045490

Preview

Coordinates	7045490.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'compound 7'
Formula	C66.5 H77 Au4 Cl5 Fe4 N4 O4
Calculated formula	C66.5 H77 Au4 Cl5 Fe4 N4 O4
Title of publication	Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.
Authors of publication	Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3880 - 3905
a	19.7785 ± 0.001 Å
b	19.7785 ± 0.001 Å
c	35.613 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	13931.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
229993 (current)	2019-11-17	cif/ Updating files of 7045484, 7045485, 7045486, 7045487, 7045488, 7045489, 7045490, 7045491, 7045492, 7045493, 7045494, 7045495, 7045496, 7045497, 7045498 Original log message: Adding full bibliography for 7045484--7045498.cif.	7045490.cif
206002	2018-02-01	cif/ Adding structures of 7045484, 7045485, 7045486, 7045487, 7045488, 7045489, 7045490, 7045491, 7045492, 7045493, 7045494, 7045495, 7045496, 7045497, 7045498 via cif-deposit CGI script.	7045490.cif