Crystallography Open Database

Information card for entry 4125394

Preview

Coordinates	4125394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127.92 H73.12 N27.44 Ni10.24 O21.98
Calculated formula	C127.848 H73.056 N27.396 Ni10.283 O21.9684
Title of publication	A Base-Resistant Metalloporphyrin Metal-Organic Framework for C-H Bond Halogenation.
Authors of publication	Lv, Xiu-Liang; Wang, Kecheng; Wang, Bin; Su, Jie; Zou, Xiaodong; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	1
Pages of publication	211 - 217
a	21.5588 ± 0.0018 Å
b	21.5588 ± 0.0018 Å
c	21.5588 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	10020.1 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor R(I) for significantly intense reflections	0.0199
Goodness-of-fit parameter for all reflections	5.219
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.45336 Å
Diffraction radiation type	Synchrotron
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/4125394.html