Crystallography Open Database

Information card for entry 7718406

Preview

Coordinates	7718406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cl Cu Fe N3 O
Calculated formula	C23 H23 Cl Cu Fe N3 O
Title of publication	Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.
Authors of publication	Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	16
Pages of publication	6563 - 6575
a	7.3196 ± 0.0003 Å
b	11.0627 ± 0.0003 Å
c	13.891 ± 0.0006 Å
α	106.725 ± 0.001°
β	91.62 ± 0.001°
γ	92.032 ± 0.001°
Cell volume	1075.69 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
300835 (current)	2025-07-06	cif/ Updating files of 7718398, 7718399, 7718400, 7718401, 7718402, 7718403, 7718404, 7718405, 7718406, 7718407 Original log message: Adding full bibliography for 7718398--7718407.cif.	7718406.cif
298569	2025-03-25	cif/ Adding structures of 7718398, 7718399, 7718400, 7718401, 7718402, 7718403, 7718404, 7718405, 7718406, 7718407 via cif-deposit CGI script.	7718406.cif