Crystallography Open Database

Information card for entry 7061055

Preview

Coordinates	7061055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Cl2 N10 O11 Zn2
Calculated formula	C50 H54 Cl2 N10 O11 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	13.9848 ± 0.0004 Å
b	23.1682 ± 0.0007 Å
c	16.0316 ± 0.0005 Å
α	90°
β	98.549 ± 0.001°
γ	90°
Cell volume	5136.6 ± 0.3 Å³
Cell temperature	146 ± 2 K
Ambient diffraction temperature	146 ± 2 K
Number of distinct elements	6
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	0.0961
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1885
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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

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