Crystallography Open Database

Information card for entry 7016336

Preview

Coordinates	7016336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Cl2 Fe N6
Calculated formula	C18 H24 Cl2 Fe N6
Title of publication	Iron(ii) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides.
Authors of publication	Xue, Fei; Zhao, Jin; Hor, T. S. Andy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	35
Pages of publication	8935 - 8940
a	15.0352 ± 0.0012 Å
b	9.0589 ± 0.0007 Å
c	15.347 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2090.3 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016336.html