Crystallography Open Database

Information card for entry 7036544

Preview

Coordinates	7036544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 B2 Cl6 N2
Calculated formula	C11 H10 B2 Cl6 N2
SMILES	Cl[B](Cl)(Cl)[n]1ccccc1Cc1[n](cccc1)[B](Cl)(Cl)Cl
Title of publication	Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.
Authors of publication	Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	18247 - 18259
a	7.5511 ± 0.0004 Å
b	10.7802 ± 0.0006 Å
c	11.2368 ± 0.0006 Å
α	112.339 ± 0.005°
β	98.875 ± 0.005°
γ	101.174 ± 0.005°
Cell volume	803.4 ± 0.09 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171176 (current)	2015-12-09	cif/ Updating files of 7036540, 7036541, 7036542, 7036543, 7036544 Original log message: Adding full bibliography for 7036540--7036544.cif.	7036544.cif
156711	2015-09-17	cif/ Adding structures of 7036540, 7036541, 7036542, 7036543, 7036544 via cif-deposit CGI script.	7036544.cif