Crystallography Open Database

Information card for entry 7704115

Preview

Coordinates	7704115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DS-423
Formula	C12 H15 Au3 N6
Calculated formula	C12 H15 Au3 N6
SMILES	[Au]1=C2N(C=CN2[Au]=C2N(C=CN2[Au]=C2N(C=CN12)C)C)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	19.878 ± 0.0005 Å
b	7.8195 ± 0.0002 Å
c	20.0027 ± 0.0005 Å
α	90°
β	94.113 ± 0.001°
γ	90°
Cell volume	3101.13 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0654
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
252794 (current)	2020-06-05	cif/ Updating files of 7704114, 7704115, 7704116, 7704117 Original log message: Adding full bibliography for 7704114--7704117.cif.	7704115.cif
250909	2020-04-18	cif/ Adding structures of 7704114, 7704115, 7704116, 7704117 via cif-deposit CGI script.	7704115.cif