Crystallography Open Database

Information card for entry 4518705

Preview

Coordinates	4518705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H145 Cl3 N8 O16
Calculated formula	C117 H145 Cl3 N8 O16
Title of publication	Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.
Authors of publication	Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	20
Pages of publication	24042 - 24050
a	13.9505 ± 0.0004 Å
b	14.4066 ± 0.0005 Å
c	17.9329 ± 0.0005 Å
α	87.868 ± 0.003°
β	81.167 ± 0.003°
γ	70.56 ± 0.003°
Cell volume	3357.99 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1343
Residual factor for significantly intense reflections	0.1052
Weighted residual factors for significantly intense reflections	0.3244
Weighted residual factors for all reflections included in the refinement	0.3555
Goodness-of-fit parameter for all reflections included in the refinement	1.351
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265745 (current)	2021-06-04	cif/ Updating files of 4518702, 4518703, 4518704, 4518705, 4518706, 4518707, 4518708, 4518709 Original log message: Adding full bibliography for 4518702--4518709.cif.	4518705.cif
265183	2021-05-14	cif/ Adding structures of 4518702, 4518703, 4518704, 4518705, 4518706, 4518707, 4518708, 4518709 via cif-deposit CGI script.	4518705.cif