Crystallography Open Database

Information card for entry 7061464

Preview

Coordinates	7061464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 Cl N S
Calculated formula	C19 H12 Cl N S
SMILES	S(c1ccc(Cl)cc1)c1c2c(nc3c1cccc3)cccc2
Title of publication	Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions
Authors of publication	Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	21
Pages of publication	10256 - 10263
a	25.36 ± 0.003 Å
b	7.5833 ± 0.0005 Å
c	33.138 ± 0.003 Å
α	90°
β	110.162 ± 0.011°
γ	90°
Cell volume	5982.3 ± 1.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.3443
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
275814 (current)	2022-06-06	cif/ Updating files of 7061460, 7061461, 7061462, 7061463, 7061464, 7061465 Original log message: Adding full bibliography for 7061460--7061465.cif.	7061464.cif
274659	2022-04-24	cif/ Adding structures of 7061460, 7061461, 7061462, 7061463, 7061464, 7061465 via cif-deposit CGI script.	7061464.cif