Crystallography Open Database

Information card for entry 7713379

Preview

Coordinates	7713379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.5 H5.5 Cu N2 O1.5 S
Calculated formula	C3.5 H5.5 Cu N2 O1.5 S
Title of publication	Harnessing the hydrogen evolution reaction (HER) through the electrical mobility of an embossed Ag(I)-molecular cage and a Cu(II)-coordination polymer.
Authors of publication	Debnath, Ananya; Diyali, Sangharaj; Das, Mainak; Panda, Subhra Jyoti; Mondal, Debasish; Dhak, Debasis; Purohit, Chandra Shekhar; Ray, Partha Pratim; Biswas, Bhaskar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	26
Pages of publication	8850 - 8856
a	11.4097 ± 0.0008 Å
b	10.5099 ± 0.0006 Å
c	12.2374 ± 0.001 Å
α	90°
β	117.109 ± 0.01°
γ	90°
Cell volume	1306.2 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
284791 (current)	2023-07-05	cif/ Adding structures of 7713378, 7713379 via cif-deposit CGI script.	7713379.cif