Crystallography Open Database

Information card for entry 1573811

Preview

Coordinates	1573811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 In N2 O6 S6
Calculated formula	C39 H29 In N2 O6 S6
SMILES	[In]1234([O]=C(O2)CSC(=S)c2ccccc2)([n]2c5c6[n]3cccc6ccc5ccc2)(OC(=[O]4)CSC(=S)c2ccccc2)OC(=[O]1)CSC(=S)c1ccccc1
Title of publication	Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO<sub>2</sub> fixation and multicomponent synthetic reactions.
Authors of publication	Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	11
Pages of publication	4518 - 4529
a	10.9278 ± 0.0002 Å
b	9.492 ± 0.0002 Å
c	19.0268 ± 0.0004 Å
α	90°
β	97.401 ± 0.002°
γ	90°
Cell volume	1957.14 ± 0.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
300976 (current)	2025-07-06	cif/ Updating files of 1573811, 1573812, 1573813 Original log message: Adding full bibliography for 1573811--1573813.cif.	1573811.cif
297532	2025-01-30	cif/ Adding structures of 1573811, 1573812, 1573813 via cif-deposit CGI script.	1573811.cif