Crystallography Open Database

Information card for entry 4349180

Preview

Coordinates	4349180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 B Cl4 Cu F4 Hg N P2
Calculated formula	C52 H43 B Cl4 Cu F4 Hg N P2
Title of publication	Role of Dispersion in Metallophilic Hg···M Interactions (M = Cu, Ag, Au) within Coinage Metal Complexes of Bis(6-diphenylphosphinoacenaphth-5-yl)mercury.
Authors of publication	Hupf, Emanuel; Kather, Ralf; Vogt, Matthias; Lork, Enno; Mebs, Stefan; Beckmann, Jens
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	21
Pages of publication	11513 - 11521
a	12.2731 ± 0.0004 Å
b	12.8124 ± 0.0004 Å
c	16.1601 ± 0.0005 Å
α	101.376 ± 0.001°
β	99.316 ± 0.001°
γ	92.873 ± 0.001°
Cell volume	2449.5 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
233671 (current)	2019-11-23	cif/ Adding structures of 4349178, 4349179, 4349180 via cif-deposit CGI script.	4349180.cif