Crystallography Open Database

Information card for entry 7113365

Preview

Coordinates	7113365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 B Hg Mn2 O4
Calculated formula	C20 H15 B Hg Mn2 O4
Title of publication	Synthesis and characterization of a mercury-containing trimetalloboride
Authors of publication	Rudiger Bertermann; Holger Braunschweig; William C. Ewing; Thomas Kramer; Ashwini K. Phukan; Alfredo Vargas; Christine Werner
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5729
a	11.7014 ± 0.0009 Å
b	11.8444 ± 0.001 Å
c	14.6285 ± 0.0012 Å
α	87.903 ± 0.003°
β	80.315 ± 0.003°
γ	74.374 ± 0.002°
Cell volume	1924.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0237
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180247 (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 7/11/33.	7113365.cif
114545	2014-05-26	cif/ Adding structures of 7113365 via cif-deposit CGI script.	7113365.cif