Crystallography Open Database

Information card for entry 4329798

Preview

Coordinates	4329798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 B2 F8 Ru
Calculated formula	C38 H34 B2 F8 Ru
Title of publication	η6-Hexahelicene Complexes of Iridium and Ruthenium: Running along the Helix
Authors of publication	Celedonio M. Álvarez; Héctor Barbero; Luis A. García-Escudero; Jose M. Martín-Alvarez; Cristina Martínez-Pérez; Daniel Miguel
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8103 - 8111
a	16.3654 ± 0.0018 Å
b	15.8012 ± 0.0015 Å
c	14.3552 ± 0.0016 Å
α	90°
β	108.37 ± 0.012°
γ	90°
Cell volume	3523 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2321
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2243
Weighted residual factors for all reflections included in the refinement	0.2588
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179400 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/97.	4329798.cif
79039	2013-04-04	cif/ Adding structures of 4329798 via cif-deposit CGI script.	4329798.cif