Crystallography Open Database

Information card for entry 4131998

4131997 << 4131998 >> 4131999

Preview

Coordinates	4131998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cu2 F12 N20 O2 Si2
Calculated formula	C20 H24 Cu2 F12 N20 O2 Si2
Title of publication	Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.
Authors of publication	Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	13
Pages of publication	4596 - 4603
a	16.9982 ± 0.0008 Å
b	11.0287 ± 0.0005 Å
c	21.318 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3996.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	7
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242040 (current)	2019-11-25	cif/ Adding structures of 4131998 via cif-deposit CGI script.	4131998.cif