Crystallography Open Database

Information card for entry 1575111

Preview

Coordinates	1575111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H62 N4 O15 Zn4
Calculated formula	C38 H60 N4 O15 Zn4
Title of publication	The interplay between coordination and non-covalent interactions in three zinc coordination polymers
Authors of publication	Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	33
Pages of publication	5583 - 5594
a	12.6715 ± 0.0006 Å
b	14.3504 ± 0.0007 Å
c	14.5469 ± 0.0009 Å
α	90°
β	114.102 ± 0.001°
γ	90°
Cell volume	2414.6 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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