Crystallography Open Database

Information card for entry 7714748

Preview

Coordinates	7714748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2
Calculated formula	C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2
Title of publication	Unexpected structural preference with metallophilic Ag-Au contacts in silver(I)-N-heterocyclic carbene cluster; experimental and theoretical approach.
Authors of publication	Sahu, Priyanka; Jana, Narayan Ch; Barik, Sahadev; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Dinda, Joydev
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1099 - 1104
a	14.2719 ± 0.0004 Å
b	24.7697 ± 0.0006 Å
c	14.7213 ± 0.0004 Å
α	90°
β	96.862 ± 0.003°
γ	90°
Cell volume	5166.9 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 10 K
Number of distinct elements	9
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
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
289553 (current)	2024-02-04	cif/ Updating files of 7714747, 7714748 Original log message: Adding full bibliography for 7714747--7714748.cif.	7714748.cif
288364	2023-12-16	cif/ Adding structures of 7714747, 7714748 via cif-deposit CGI script.	7714748.cif