Crystallography Open Database

Information card for entry 7112053

7112052 << 7112053 >> 7112054

Preview

Coordinates	7112053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H59 Cl O Os P2
Calculated formula	C47 H59 Cl O Os P2
SMILES	[Os](Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(/C=C/c1ccc2ccc3ccc4ccc5ccc6ccccc6c5c4c3c2c1)C#[O]
Title of publication	Helicene-grafted vinyl- and carbene-osmium complexes: an example of acid-base chiroptical switching
Authors of publication	Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Christian Roussel; Loic Toupet; Jochen Autschbach; Regis Reau; Jeanne Crassous
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2854
a	10.8261 ± 0.0003 Å
b	13.8895 ± 0.0003 Å
c	14.4115 ± 0.0003 Å
α	83.893 ± 0.002°
β	78.095 ± 0.002°
γ	86.848 ± 0.002°
Cell volume	2107.18 ± 0.09 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112053.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112053.cif
103759	2014-03-07	cif/ Adding structures of 7112053 via cif-deposit CGI script.	7112053.cif