Crystallography Open Database

Information card for entry 7112170

Preview

Coordinates	7112170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 B2 Hg N4
Calculated formula	C52 H72 B2 Hg N4
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	12.921 ± 0.0001 Å
b	26.7541 ± 0.0002 Å
c	14.7175 ± 0.0001 Å
α	90°
β	91.0133 ± 0.0003°
γ	90°
Cell volume	5086.89 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for all reflections	0.0647
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	0.9041
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112170.cif
107484	2014-03-19	cif/ Adding structures of 7112170, 7112171, 7112172, 7112173, 7112174, 7112175 via cif-deposit CGI script.	7112170.cif