Crystallography Open Database

Information card for entry 1571940

1571939 << 1571940 >> 1571941

Preview

Coordinates	1571940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H50 Au Cl3 Fe I N5
Calculated formula	C41 H50 Au Cl3 Fe I N5
Title of publication	Facile synthesis and bonding of 4-ferrocenyl-1,2,4-triazol-5-ylidene complexes.
Authors of publication	Franc, Michal; Schulz, Jiří; Štěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	27
Pages of publication	11445 - 11453
a	20.2983 ± 0.0006 Å
b	14.2658 ± 0.0004 Å
c	15.5783 ± 0.0004 Å
α	90°
β	108.205 ± 0.001°
γ	90°
Cell volume	4285.2 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293844 (current)	2024-08-05	cif/ Updating files of 1571939, 1571940 Original log message: Adding full bibliography for 1571939--1571940.cif.	1571940.cif
292453	2024-06-19	cif/ Adding structures of 1571939, 1571940 via cif-deposit CGI script.	1571940.cif