Crystallography Open Database

Information card for entry 7224587

Preview

Coordinates	7224587.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2
Formula	C62 H62 N10 O14 S2 Zn2
Calculated formula	C62 H62 N10 O14 S2 Zn2
Title of publication	Cation-directed assembly of polyrotaxane and polycatenane
Authors of publication	Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	2621
a	47.233 ± 0.006 Å
b	11.4571 ± 0.0017 Å
c	25.455 ± 0.004 Å
α	90°
β	119.856 ± 0.007°
γ	90°
Cell volume	11947 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1626
Residual factor for significantly intense reflections	0.111
Weighted residual factors for significantly intense reflections	0.2781
Weighted residual factors for all reflections included in the refinement	0.3087
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
182641 (current)	2016-05-06	cif/ Updating files of 7224586, 7224587 Original log message: Adding full bibliography for 7224586--7224587.cif.	7224587.cif
178155	2016-03-12	cif/ Adding structures of 7224586, 7224587 via cif-deposit CGI script.	7224587.cif