Crystallography Open Database

Information card for entry 7713259

Preview

Coordinates	7713259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl Fe N6 O3 Re
Calculated formula	C26 H20 Cl Fe N6 O3 Re
SMILES	[Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2ccccc2N(c2[n]1cccc2)Cc1nnn(c1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
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	8.895 ± 0.0006 Å
b	11.5329 ± 0.0008 Å
c	14.2889 ± 0.0011 Å
α	72.524 ± 0.007°
β	81.313 ± 0.006°
γ	71.001 ± 0.006°
Cell volume	1319.7 ± 0.18 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 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	0.1398
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.3125
Weighted residual factors for all reflections included in the refinement	0.3418
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7713259.cif