Crystallography Open Database

Information card for entry 7713255

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Coordinates	7713255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Fe N4
Calculated formula	C18 H16 Fe N4
Title of publication	Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.
Authors of publication	Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	5.8002 ± 0.0001 Å
b	29.8989 ± 0.0003 Å
c	9.0804 ± 0.0001 Å
α	90°
β	102.836 ± 0.001°
γ	90°
Cell volume	1535.37 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0402
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284609 (current)	2023-06-29	cif/ Adding structures of 7713254, 7713255, 7713256, 7713257, 7713258, 7713259 via cif-deposit CGI script.	7713255.cif