Crystallography Open Database

Information card for entry 7061053

Preview

Coordinates	7061053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 Cl2 N12 O12 S Zn2
Calculated formula	C53 H61 Cl2 N11 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	13.2634 ± 0.0016 Å
b	13.5038 ± 0.0016 Å
c	19.653 ± 0.003 Å
α	99.629 ± 0.004°
β	101.399 ± 0.004°
γ	115.316 ± 0.004°
Cell volume	2990.6 ± 0.7 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148.07 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	7061053.cif
270338	2021-11-06	cif/ Adding structures of 7061049, 7061050, 7061051, 7061052, 7061053, 7061054, 7061055, 7061056 via cif-deposit CGI script.	7061053.cif