Crystallography Open Database

Information card for entry 4128320

Preview

Coordinates	4128320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 N2 O5 Zn
Calculated formula	C30 H26 N2 O5 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	9.0865 ± 0.0006 Å
b	11.1662 ± 0.0006 Å
c	13.4069 ± 0.0009 Å
α	77.455 ± 0.005°
β	83.372 ± 0.005°
γ	83.133 ± 0.005°
Cell volume	1312.66 ± 0.15 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0952
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.2093
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128320.html