Crystallography Open Database

Information card for entry 7704116

Preview

Coordinates	7704116.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DS-603 - 18RPA006
Formula	C12 H14 Au Cl N2
Calculated formula	C12 H14 Au Cl N2
SMILES	[Au](Cl)=C1N(C(=CN1)C)c1c(cccc1C)C
Title of publication	A new approach to the synthesis of trinuclear gold(i) imidazolate complexes and their silver(i)-induced photoluminescence behavior.
Authors of publication	Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín; Badía-Laiño, Rosana
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6561 - 6565
a	9.7911 ± 0.0002 Å
b	11.508 ± 0.0002 Å
c	11.9686 ± 0.0002 Å
α	90°
β	92.2034 ± 0.0012°
γ	90°
Cell volume	1347.58 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0463
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
252794 (current)	2020-06-05	cif/ Updating files of 7704114, 7704115, 7704116, 7704117 Original log message: Adding full bibliography for 7704114--7704117.cif.	7704116.cif
250909	2020-04-18	cif/ Adding structures of 7704114, 7704115, 7704116, 7704117 via cif-deposit CGI script.	7704116.cif