Crystallography Open Database

Information card for entry 7710882

Preview

Coordinates	7710882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cu4 N4 Se4
Calculated formula	C28 H32 Cu4 N4 Se4
SMILES	c12cc(cc(C)[n]1[Cu]1345[Cu]6789[Cu]%10%111([Cu]36([n]1c(cc(cc1C)C)[Se]4%11)([Se]9c1cc(cc(C)[n]%101)C)[Se]5c1cc(cc(C)[n]71)C)[Se]28)C
Title of publication	Facile One Pot Synthesis of Highly Photoresponsive Coinage Metal Selenides (Cu1.8Se and Ag2Se) Achieved Through Novel Cu and Ag Pyridylselenolates as Molecular Precursors
Authors of publication	Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Nigam, Sandeep; Wadawale, Amey; Gotluru, Kedarnath; Vats, Bal Govind; Kumar, N. Naveen; Singh, Vishal
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.7261 ± 0.0003 Å
b	15.991 ± 0.0003 Å
c	16.3017 ± 0.0003 Å
α	90°
β	100.261 ± 0.002°
γ	90°
Cell volume	3264.39 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0687
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
277048 (current)	2022-08-03	cif/ Adding structures of 7710882, 7710883, 7710884 via cif-deposit CGI script.	7710882.cif