Crystallography Open Database

Information card for entry 7243906

Preview

Coordinates	7243906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H84 N18 O36 Zn3
Calculated formula	C108 H84 N18 O36 Zn3
Title of publication	Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode
Authors of publication	Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	48
Pages of publication	8546 - 8552
a	15.531 ± 0.002 Å
b	15.531 ± 0.002 Å
c	89.937 ± 0.018 Å
α	90°
β	90°
γ	120°
Cell volume	18787 ± 5 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2793
Weighted residual factors for all reflections included in the refinement	0.2997
Goodness-of-fit parameter for all reflections included in the refinement	1.742
Diffraction radiation wavelength	0.67 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271841 (current)	2022-01-06	cif/ Updating files of 7243905, 7243906, 7243907, 7243908 Original log message: Adding full bibliography for 7243905--7243908.cif.	7243906.cif
270626	2021-11-13	cif/ Adding structures of 7243905, 7243906, 7243907, 7243908 via cif-deposit CGI script.	7243906.cif