Crystallography Open Database

Information card for entry 7227837

Preview

Coordinates	7227837.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp-BIANCl)FeCl2
Formula	C60 H55 Cl3 Fe N2 O
Calculated formula	C60 H55 Cl3 Fe N2 O
SMILES	[Fe]1(Cl)(Cl)[N](=C2C(=[N]1c1c(C(C)C)cccc1C(C)C)c1c3c2cccc3ccc1)c1c(cc(Cl)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds
Authors of publication	Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	25
Pages of publication	15321
a	10.51517 ± 0.00014 Å
b	18.6075 ± 0.0003 Å
c	26.0044 ± 0.0003 Å
α	90°
β	96.4438 ± 0.0011°
γ	90°
Cell volume	5055.9 ± 0.12 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
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
194154 (current)	2017-03-10	cif/ Adding structures of 7227832, 7227833, 7227834, 7227835, 7227836, 7227837 via cif-deposit CGI script.	7227837.cif