Crystallography Open Database

Information card for entry 4087795

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Coordinates	4087795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 Fe N2
Calculated formula	C48 H56 Fe N2
Title of publication	Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation
Authors of publication	Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5015
a	19.2442 ± 0.0016 Å
b	12.3631 ± 0.001 Å
c	17.4252 ± 0.0014 Å
α	90°
β	102.264 ± 0.003°
γ	90°
Cell volume	4051.2 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237008 (current)	2019-11-24	cif/ Adding structures of 4087794, 4087795, 4087796, 4087797, 4087798 via cif-deposit CGI script.	4087795.cif