Crystallography Open Database

Information card for entry 4082809

Preview

Coordinates	4082809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Fe N4 Si2
Calculated formula	C36 H44 Fe N4 Si2
SMILES	C12N(c3ccccc3N2C)c2ccccc2c2c(N3C(=[Fe]=1(C[Si](C)(C)C)C[Si](C)(C)C)N(c1c3cccc1)C)cccc2
Title of publication	Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization
Authors of publication	Liu, Yang; Shi, Min; Deng, Liang
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	20
Pages of publication	5660
a	17.525 ± 0.002 Å
b	10.7437 ± 0.0013 Å
c	21.023 ± 0.002 Å
α	90°
β	114.5 ± 0.002°
γ	90°
Cell volume	3601.9 ± 0.7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.0584
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178717 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/28.	4082809.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4082809.cif
108668	2014-04-02	cif/ Adding structures of 4082807, 4082808, 4082809, 4082810, 4082811, 4082812, 4082813, 4082814, 4082815 via cif-deposit CGI script.	4082809.cif