Crystallography Open Database

Information card for entry 4132922

Preview

Coordinates	4132922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5.5 N0 O4.5 Zr0.75
Calculated formula	C10 H5.5 O4.5 Zr0.75
Title of publication	Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.
Authors of publication	Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	39
Pages of publication	12328 - 12332
a	18.7781 ± 0.001 Å
b	35.2745 ± 0.0008 Å
c	16.0212 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10612.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242788 (current)	2019-11-26	cif/ Adding structures of 4132922, 4132923, 4132924, 4132925 via cif-deposit CGI script.	4132922.cif