Crystallography Open Database

Information card for entry 7713257

Preview

Coordinates	7713257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cl Fe N4 O3 Re
Calculated formula	C20 H14 Cl Fe N4 O3 Re
SMILES	[Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1nn(c2)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
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	10.6081 ± 0.0002 Å
b	9.5189 ± 0.0002 Å
c	41.2655 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4166.88 ± 0.14 Å³
Cell temperature	295.61 ± 0.18 K
Ambient diffraction temperature	295.61 ± 0.18 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	7713257.cif