Crystallography Open Database

Information card for entry 7112173

Preview

Coordinates	7112173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 B Br Hg N2
Calculated formula	C26 H36 B Br Hg N2
SMILES	[Hg](Br)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Heavy metal boryl chemistry: complexes of cadmium, mercury and lead
Authors of publication	Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3841
a	9.5303 ± 0.0001 Å
b	10.6414 ± 0.0001 Å
c	14.1133 ± 0.0001 Å
α	76.0209 ± 0.0004°
β	89.6737 ± 0.0004°
γ	77.503 ± 0.0005°
Cell volume	1354.37 ± 0.02 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 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	0.0305
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for all reflections	0.0726
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	0.9763
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112173.cif
107484	2014-03-19	cif/ Adding structures of 7112170, 7112171, 7112172, 7112173, 7112174, 7112175 via cif-deposit CGI script.	7112173.cif