Crystallography Open Database

Information card for entry 7241974

7241973 << 7241974 >> 7241975

Preview

Coordinates	7241974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 N8 O8 S2
Calculated formula	C18 H30 N8 O8 S2
Title of publication	Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption
Authors of publication	Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	5
Pages of publication	1149 - 1157
a	10.3886 ± 0.0002 Å
b	7.34813 ± 0.00019 Å
c	17.1099 ± 0.0003 Å
α	90°
β	103.338 ± 0.0013°
γ	90°
Cell volume	1270.88 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262565 (current)	2021-03-05	cif/ Updating files of 7241968, 7241969, 7241970, 7241971, 7241972, 7241973, 7241974, 7241975 Original log message: Adding full bibliography for 7241968--7241975.cif.	7241974.cif
260132	2020-12-24	cif/ Adding structures of 7241968, 7241969, 7241970, 7241971, 7241972, 7241973, 7241974, 7241975 via cif-deposit CGI script.	7241974.cif