Crystallography Open Database

Information card for entry 1561979

1561978 << 1561979 >> 1561980

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Coordinates	1561979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H50 Cu4 F12 N6 O20
Calculated formula	C74 H42 Cu4 F12 N6 O20
Title of publication	New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates
Authors of publication	Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	226
Pages of publication	206 - 214
a	17.0824 ± 0.0012 Å
b	11.8393 ± 0.001 Å
c	19.2662 ± 0.001 Å
α	90°
β	106.856 ± 0.004°
γ	90°
Cell volume	3729.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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