Crystallography Open Database

Information card for entry 2022837

2022836 << 2022837 >> 2022838

Preview

Coordinates	2022837.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Aqua(2,2'-bipyridineκ^2^<i>N</i>,<i>N</i>')bis(3-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-copper(II) 0.68-hydrate,
Formula	C26 H25.36 Cu N2 O5.68
Calculated formula	C26 H25.36 Cu N2 O5.68
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands
Authors of publication	Qadir, Adnan
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	9
a	16.754 ± 0.003 Å
b	7.0021 ± 0.0012 Å
c	22.103 ± 0.004 Å
α	90°
β	106.522 ± 0.006°
γ	90°
Cell volume	2485.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
285785 (current)	2023-08-16	cif/ hkl/ Adding structures of 2022837 via cif-deposit CGI script.	2022837.cif