Crystallography Open Database

Information card for entry 7711887

Preview

Coordinates	7711887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 Cl2 Fe N3
Calculated formula	C15 H19 Cl2 Fe N3
SMILES	[Fe]12(Cl)(Cl)[n]3c(cccc3C)C[N]1(C)Cc1[n]2c(ccc1)C
Title of publication	Iron(II)-α-keto acid complexes of tridentate ligands on gold nanoparticles: the effect of ligand geometry and immobilization on their dioxygen-dependent reactivity.
Authors of publication	Bera, Abhijit; Sheet, Debobrata; Paine, Tapan Kanti
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	1062 - 1073
a	8.655 ± 0.005 Å
b	12.892 ± 0.007 Å
c	14.631 ± 0.008 Å
α	90°
β	92.845 ± 0.017°
γ	90°
Cell volume	1630.5 ± 1.6 Å³
Cell temperature	99.96 K
Ambient diffraction temperature	99.96 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1251
Residual factor for significantly intense reflections	0.1054
Weighted residual factors for significantly intense reflections	0.2614
Weighted residual factors for all reflections included in the refinement	0.2758
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7711887.cif
283270	2023-05-05	cif/ Updating files of 7711887, 7711888 Original log message: Adding full bibliography for 7711887--7711888.cif.	7711887.cif
279794	2022-12-08	cif/ Adding structures of 7711887, 7711888 via cif-deposit CGI script.	7711887.cif