Crystallography Open Database

Information card for entry 7111963

7111962 << 7111963 >> 7111964

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Coordinates	7111963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 N6 O16 Zn3
Calculated formula	C42 H36 N6 O16 Zn3
Title of publication	Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework
Authors of publication	Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya
Journal of publication	Chemical Communications
Year of publication	2014
Journal volume	50
Journal issue	20
Pages of publication	2615 - 2617
a	16.205 ± 0.006 Å
b	24.834 ± 0.008 Å
c	13.514 ± 0.005 Å
α	90°
β	124.244 ± 0.003°
γ	90°
Cell volume	4496 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0318
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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