Crystallography Open Database

Information card for entry 2023469

2023468 << 2023469 >> 2023470

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Coordinates	2023469.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[tetraaquabis[4,7-bis(1<i>H</i>-pyrazol-4-yl)benzo[<i>c</i>][1,2,5]thiadiazole][μ~4~-5,5'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[<i>lmn</i>][3,8]phenanthroline-2,7-diyl)diisophthalato]dinickel(II)]
Formula	C60 H50 N16 Ni2 O19 S2
Calculated formula	C60 H50 N16 Ni2 O19 S2
Title of publication	An Ni-based coordination polymer with a bamboo-like crystal structure.
Authors of publication	Li, Yi; Xie, Wang; Lin, Chen
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	377 - 380
a	9.5384 ± 0.0004 Å
b	10.1543 ± 0.0004 Å
c	16.2521 ± 0.0008 Å
α	81.511 ± 0.003°
β	75.79 ± 0.003°
γ	75.92 ± 0.003°
Cell volume	1473.62 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2316
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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