Crystallography Open Database

Information card for entry 4109550

Preview

Coordinates	4109550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H124 B2 Cl2 F2 N4
Calculated formula	C78 H122 B2 F2 N4
Title of publication	Enhancing Electron Accepting Ability of Triarylboron via π-Conjugation with 2,2'-Bipy and Metal Chelation: 5,5'-Bis(BMes2)-2,2'-bipy and Its Metal Complexes
Authors of publication	Yi Sun; Nicole Ross; Shu-Bin Zhao; Krista Huszarik; Wen-Li Jia; Rui-Yao Wang; Donal Macartney; Suning Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7510 - 7511
a	11.402 ± 0.003 Å
b	17.934 ± 0.005 Å
c	21.197 ± 0.005 Å
α	78.656 ± 0.003°
β	77.688 ± 0.003°
γ	72.65 ± 0.003°
Cell volume	4000.7 ± 1.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1936
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.2551
Weighted residual factors for all reflections included in the refinement	0.2949
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178841 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95.	4109550.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109550.cif
58327	2012-05-28	cif/ Adding structures of 4109550 via cif-deposit CGI script.	4109550.cif