Crystallography Open Database

Information card for entry 7213884

Preview

Coordinates	7213884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H56 N16 O16 S8 Zn4
Calculated formula	C88 H56 N16 O16 S8 Zn4
Title of publication	Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands
Authors of publication	Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	900
a	17.8224 ± 0.0012 Å
b	27.27 ± 0.0019 Å
c	18.3256 ± 0.0012 Å
α	90°
β	110.532 ± 0.001°
γ	90°
Cell volume	8340.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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