Crystallography Open Database

Information card for entry 2312832

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Structure parameters

Chemical name	Poly[diaqua[μ-4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine]bis(μ-naphthalene-1,4-dicarboxylato)dicobalt(II)]
Formula	C49 H40 Co2 N4 O14
Calculated formula	C49 H40 Co2 N4 O14
Title of publication	Investigation into the third-order nonlinear optical properties of a three-dimensional cobalt(II) coordination polymer constructed from naphthalene-1,4-dicarboxylic acid and 4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine.
Authors of publication	Lian, Zhaoxun; Zhao, Ning
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2025
Journal volume	81
Journal issue	6
a	26.428 ± 0.01 Å
b	17.871 ± 0.007 Å
c	9.627 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4547 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
299592 (current)	2025-05-09	cif/ hkl/ Adding structures of 2312832 via cif-deposit CGI script.	2312832.cif 2312832.hkl