Crystallography Open Database

Information card for entry 4069714

Preview

Coordinates	4069714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Cl2 F8 Rh2
Calculated formula	C28 H20 Cl2 F8 Rh2
SMILES	[Rh]1234([Cl][Rh]567([Cl]1)[CH]1=[C]6([C@@H]6[CH]5=[C]7(C)[C@H]1c1c(F)c(F)c(F)c(F)c61)C)[CH]1=[C]2([C@@H]2[CH]3=[C]4([C@H]1c1c2c(F)c(F)c(F)c1F)C)C
Title of publication	Asymmetric Polymerization of Achiral Arylacetylenes Giving Helical Polyacetylenes in the Presence of a Rhodium Catalyst with aC2-Symmetric Tetrafluorobenzobarrelene Ligand
Authors of publication	Nishimura, Takahiro; Ichikawa, Yoshitaka; Hayashi, Tamio; Onishi, Naoya; Shiotsuki, Masashi; Masuda, Toshio
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4890
a	7.474 ± 0.003 Å
b	12.64 ± 0.003 Å
c	14.163 ± 0.005 Å
α	90°
β	100.076 ± 0.018°
γ	90°
Cell volume	1317.4 ± 0.8 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	0.678
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069714.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069714.cif
40403	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069714 via cif-deposit CGI script.	4069714.cif