Crystallography Open Database

Information card for entry 4109549

Preview

Coordinates	4109549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 B2 N2 O2
Calculated formula	C46 H50 B2 N2
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	14.94 ± 0.003 Å
b	8.2549 ± 0.0018 Å
c	20.299 ± 0.004 Å
α	90°
β	107.649 ± 0.004°
γ	90°
Cell volume	2385.6 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1418
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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.	4109549.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109549.cif
58326	2012-05-28	cif/ Adding structures of 4109549 via cif-deposit CGI script.	4109549.cif