Crystallography Open Database

Information card for entry 4128318

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Coordinates	4128318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.41 H19.41 N O4 Zn
Calculated formula	C27 H19 N O4 Zn
Title of publication	Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework.
Authors of publication	Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	15742 - 15746
a	9.803 ± 0.0006 Å
b	9.8836 ± 0.0006 Å
c	11.8009 ± 0.0008 Å
α	88.301 ± 0.005°
β	86.59 ± 0.005°
γ	80.201 ± 0.005°
Cell volume	1124.48 ± 0.12 Å³
Cell temperature	93 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.204
Weighted residual factors for all reflections included in the refinement	0.2269
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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