Crystallography Open Database

Information card for entry 4132913

Preview

Coordinates	4132913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 N0.5 O8 Zr1.5
Calculated formula	C21 H11 N0.5 O8 Zr1.5
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	17.7043 ± 0.001 Å
b	33.0203 ± 0.0013 Å
c	34.5937 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	20223.5 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
242787 (current)	2019-11-26	cif/ Adding structures of 4132912, 4132913, 4132914, 4132915, 4132916, 4132917, 4132918, 4132919, 4132920, 4132921 via cif-deposit CGI script.	4132913.cif