Crystallography Open Database

Information card for entry 7045000

Preview

Coordinates	7045000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cu Ga N4 O3 P2 S6
Calculated formula	C54 H54 Cu Ga N4 O3 P2 S6
SMILES	C1(=[S][Ga]23(S1)[S]=C(C1=C(CCC1)N)S[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]2C(=[S]3)C1=C(CCC1)N)C1=C(CCC1)N.N(=O)(=O)[O-]
Title of publication	Single source precursor driven phase selective synthesis of Au-CuGaS<sub>2</sub> heteronanostructures: an observation of plasmon enhanced photocurrent efficiency.
Authors of publication	Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Satra, Jit; Adhikary, Bibhutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	4
Pages of publication	1071 - 1081
a	13.294 ± 0.0011 Å
b	14.7257 ± 0.0012 Å
c	15.9249 ± 0.0013 Å
α	64.196 ± 0.002°
β	80.02 ± 0.002°
γ	78.737 ± 0.003°
Cell volume	2738.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0695
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
229528 (current)	2019-11-17	cif/ Updating files of 7045000, 7045001 Original log message: Adding full bibliography for 7045000--7045001.cif.	7045000.cif
204102	2017-12-09	cif/ Adding structures of 7045000, 7045001 via cif-deposit CGI script.	7045000.cif