Crystallography Open Database

Information card for entry 2021818

2021817 << 2021818 >> 2021819

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Structure parameters

Chemical name	Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^:<i>O</i>^5^}bis(1,10-phenanthroline)trinickel(II)] dimethylformamide 1.5-solvate trihydrate]
Formula	C70.5 H58.5 N5.5 Ni3 O22.5
Calculated formula	C66 H42 N4 Ni3 O18
Title of publication	Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline
Authors of publication	Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	12
a	27.7272 ± 0.0015 Å
b	15.8769 ± 0.0009 Å
c	19.7083 ± 0.0019 Å
α	90°
β	132.525 ± 0.0015°
γ	90°
Cell volume	6394.1 ± 0.8 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0808
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
227694 (current)	2019-11-13	cif/ hkl/ Adding structures of 2021818, 2021819, 2021820 via cif-deposit CGI script.	2021818.cif 2021818.hkl