Crystallography Open Database

Information card for entry 7250530

Preview

Coordinates	7250530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl4 N4 O8 Zn2
Calculated formula	C36 H36 Cl4 N4 O8 Zn2
Title of publication	Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds
Authors of publication	Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	30
Pages of publication	5104 - 5125
a	27.2641 ± 0.0008 Å
b	9.4294 ± 0.0003 Å
c	17.5738 ± 0.0005 Å
α	90°
β	123.972 ± 0.001°
γ	90°
Cell volume	3746.8 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7250530.html