Crystallography Open Database

Information card for entry 4082813

Preview

Coordinates	4082813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Fe N4
Calculated formula	C34 H32 Fe N4
SMILES	C12N(C)c3ccccc3N1c1c(cccc1)c1c(N3C(=[Fe]4567=2(C[CH]4=[CH2]5)C[CH]6=[CH2]7)N(C)c2ccccc32)cccc1
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	13.501 ± 0.0015 Å
b	13.501 ± 0.0015 Å
c	14.6888 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2677.4 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.1017
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.309
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.	4082813.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4082813.cif
108668	2014-04-02	cif/ Adding structures of 4082807, 4082808, 4082809, 4082810, 4082811, 4082812, 4082813, 4082814, 4082815 via cif-deposit CGI script.	4082813.cif