Crystallography Open Database

Information card for entry 7704628

Preview

Coordinates	7704628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Hg
Calculated formula	C20 H14 Hg
SMILES	[Hg](c1cccc2ccccc12)c1cccc2ccccc12
Title of publication	Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].
Authors of publication	Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	26
Pages of publication	9099 - 9117
a	4.7892 ± 0.0001 Å
b	11.4477 ± 0.0003 Å
c	25.3709 ± 0.0006 Å
α	90°
β	90.263 ± 0.002°
γ	90°
Cell volume	1390.95 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
254985 (current)	2020-08-06	cif/ Updating files of 7704622, 7704623, 7704624, 7704625, 7704626, 7704627, 7704628, 7704629, 7704630, 7704631, 7704632 Original log message: Adding full bibliography for 7704622--7704632.cif.	7704628.cif
252968	2020-06-06	cif/ Adding structures of 7704622, 7704623, 7704624, 7704625, 7704626, 7704627, 7704628, 7704629, 7704630, 7704631, 7704632 via cif-deposit CGI script.	7704628.cif