Crystallography Open Database

Information card for entry 7704632

Preview

Coordinates	7704632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 Cu1.81 F6 Hg2.19 N4 O6 S2
Calculated formula	C38 H24 Cu1.8122 F6 Hg2.1878 N4 O6 S2
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	6.8295 ± 0.0002 Å
b	22.1537 ± 0.0005 Å
c	12.765 ± 0.0003 Å
α	90°
β	101.436 ± 0.003°
γ	90°
Cell volume	1892.98 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0458
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	7704632.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.	7704632.cif