Crystallography Open Database

Information card for entry 7704630

Preview

Coordinates	7704630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H48 Au4 F12 Hg4 N8 O12 S4
Calculated formula	C76 H48 Au4 F12 Hg4 N8 O12 S4
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	12.8571 ± 0.0009 Å
b	13.1664 ± 0.0007 Å
c	14.465 ± 0.0007 Å
α	65.49 ± 0.005°
β	65.606 ± 0.006°
γ	78.756 ± 0.005°
Cell volume	2028.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.187
Residual factor for significantly intense reflections	0.1489
Weighted residual factors for significantly intense reflections	0.3726
Weighted residual factors for all reflections included in the refinement	0.3948
Goodness-of-fit parameter for all reflections included in the refinement	2.067
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
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.	7704630.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.	7704630.cif