Crystallography Open Database

Information card for entry 7045086

Preview

Coordinates	7045086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Fe N O3 Re
Calculated formula	C19 H14 Fe N O3 Re
SMILES	[Re]1234([c]5([cH]4[cH]3[cH]2[cH]15)/C=N/[c]12[Fe]3456789([cH]%10[cH]3[cH]4[cH]5[cH]6%10)[cH]1[cH]7[cH]8[cH]29)(C#[O])(C#[O])C#[O]
Title of publication	Isomeric and hybrid ferrocenyl/cyrhetrenyl aldimines: a new family of multifunctional compounds.
Authors of publication	Oyarzo, Juan; Acuña, Alejandra; Klahn, Hugo; Arancibia, Rodrigo; Silva, Carlos P.; Bosque, Ramón; López, Concepción; Font-Bardía, Mercè; Calvis, Carme; Messeguer, Ramón
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1635 - 1649
a	7.7538 ± 0.0003 Å
b	10.0032 ± 0.0003 Å
c	11.4059 ± 0.0004 Å
α	99.296 ± 0.002°
β	104.904 ± 0.001°
γ	98.359 ± 0.001°
Cell volume	827.32 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.015
Weighted residual factors for significantly intense reflections	0.0311
Weighted residual factors for all reflections included in the refinement	0.0317
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
229472 (current)	2019-11-17	cif/ Updating files of 7045085, 7045086 Original log message: Adding full bibliography for 7045085--7045086.cif.	7045086.cif
204383	2017-12-20	cif/ Adding structures of 7045085, 7045086 via cif-deposit CGI script.	7045086.cif