Crystallography Open Database

Information card for entry 7062484

Preview

Coordinates	7062484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H34 I8 N10 Ni3 O6
Calculated formula	C56 H34 I8 N10 Ni3 O6
Title of publication	A phenoxy-bridged trinuclear Ni(ii) complex: synthesis, structural elucidation and molecular docking with viral proteins
Authors of publication	Kumar, Sunil; Choudhary, Mukesh
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	21
Pages of publication	10424 - 10445
a	16.0798 ± 0.0012 Å
b	16.0798 ± 0.0012 Å
c	22.355 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5005.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284289 (current)	2023-06-05	cif/ Updating files of 7062484 Original log message: Adding full bibliography for 7062484.cif.	7062484.cif
283843	2023-05-18	cif/ Adding structures of 7062484 via cif-deposit CGI script.	7062484.cif