Crystallography Open Database

Information card for entry 7062081

7062080 << 7062081 >> 7062082

Preview

Coordinates	7062081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 N2 O2 S2 Zn
Calculated formula	C34 H40 N2 O2 S2 Zn
SMILES	c1ccsc1C[N]1=Cc2cc(cc(c2O[Zn]21[N](Cc1cccs1)=Cc1cc(cc(c1O2)C(C)(C)C)C)C(C)(C)C)C
Title of publication	Mononuclear Zn(ii) compounds supported by iminophenolate proligands binding in the bidentate (N, O) and tridentate (N, O, S) coordination mode: synthesis, characterization and polymerization studies
Authors of publication	Roy, Sourav Singha; Sarkar, Sriparna; Antharjanam, P. K. Sudhadevi; Chakraborty, Debashis
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	2
Pages of publication	635 - 652
a	10.1752 ± 0.0004 Å
b	11.3986 ± 0.0004 Å
c	15.2282 ± 0.0005 Å
α	96.7636 ± 0.0015°
β	100.68 ± 0.0015°
γ	108.634 ± 0.0014°
Cell volume	1614.65 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
281525 (current)	2023-03-04	cif/ Updating files of 7062081, 7062082 Original log message: Adding full bibliography for 7062081--7062082.cif.	7062081.cif
279411	2022-11-19	cif/ Adding structures of 7062081, 7062082 via cif-deposit CGI script.	7062081.cif