Crystallography Open Database

Information card for entry 7061052

Preview

Coordinates	7061052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H54 Cl2 N10 O11 S Zn2
Calculated formula	C46 H54 Cl2 N10 O11 S Zn2
Title of publication	Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur
Authors of publication	Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	47
Pages of publication	22406 - 22416
a	14.0208 ± 0.0003 Å
b	22.8093 ± 0.0006 Å
c	15.7151 ± 0.0004 Å
α	90°
β	95.988 ± 0.001°
γ	90°
Cell volume	4998.3 ± 0.2 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145.35 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
271859 (current)	2022-01-06	cif/ Updating files of 7061049, 7061050, 7061051, 7061052, 7061053, 7061054, 7061055, 7061056 Original log message: Adding full bibliography for 7061049--7061056.cif.	7061052.cif
270338	2021-11-06	cif/ Adding structures of 7061049, 7061050, 7061051, 7061052, 7061053, 7061054, 7061055, 7061056 via cif-deposit CGI script.	7061052.cif