Crystallography Open Database

Information card for entry 2023518

2023517 << 2023518 >> 2100000

Preview

Coordinates	2023518.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^] hemi{bis[μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]bis[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]}] nonahydrate]
Formula	C42 H52 N10 O17 Zn2
Calculated formula	C42 H34 N10 O17 Zn2
Title of publication	Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1H-imidazol-1-ylmethyl)benzene ligands
Authors of publication	Kummuang, Chanikarn; Chainok, Kittipong; Wannarit, Nanthawat
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	6
Pages of publication	559 - 564
a	25.577 ± 0.004 Å
b	18.632 ± 0.003 Å
c	22.463 ± 0.004 Å
α	90°
β	94.335 ± 0.006°
γ	90°
Cell volume	10674 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0659
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
299888 (current)	2025-05-31	cif/ Adding structures of 2023518 via cif-deposit CGI script.	2023518.cif