Crystallography Open Database

Information card for entry 7019311

7019310 << 7019311 >> 7019312

Preview

Coordinates	7019311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 As Cl2 F3 N3 O3 S
Calculated formula	C35 H27 As Cl2 F3 N3 O3 S
SMILES	[As]1=[N+]2c3c(N1c1c(CCc4nc(CCc5c2cccc5)ccc4)cccc1)c1c2c3cccc2ccc1.S(=O)(=O)([O-])C(F)(F)F.ClCCl
Title of publication	Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene "clamshell" ligand.
Authors of publication	Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7890 - 7896
a	11.01 ± 0.002 Å
b	15.943 ± 0.003 Å
c	23.006 ± 0.006 Å
α	90°
β	115.88 ± 0.02°
γ	90°
Cell volume	3633.3 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.088
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019311.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019311.cif
62836	2012-07-09	cif/ Adding structures of 7019306, 7019307, 7019308, 7019309, 7019310, 7019311, 7019312, 7019313 via cif-deposit CGI script.	7019311.cif