Crystallography Open Database

Information card for entry 1561869

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Coordinates	1561869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H37 N13 O22 Zn4
Calculated formula	C51 H37 N13 O22 Zn4
Title of publication	A nanoporous 3D zinc(II) metal‒organic framework for selective absorption of benzaldehyde and formaldehyde
Authors of publication	Moradpour, Tahereh; Abbasi, Alireza; Van Hecke, Kristof
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	228
Pages of publication	36 - 41
a	26.0338 ± 0.0008 Å
b	26.3415 ± 0.0007 Å
c	27.5327 ± 0.0007 Å
α	90°
β	97.836 ± 0.003°
γ	90°
Cell volume	18704.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0826
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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