Crystallography Open Database

Information card for entry 7111964

7111963 << 7111964 >> 7111965

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Coordinates	7111964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N3 O8.75 Zn1.5
Calculated formula	C20 H18 N3 O8.75 Zn1.5
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	15.7066 ± 0.0013 Å
b	25.077 ± 0.002 Å
c	13.4867 ± 0.0011 Å
α	90°
β	124.628 ± 0.001°
γ	90°
Cell volume	4371.1 ± 0.6 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	0.1249
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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