Crystallography Open Database

Information card for entry 7128791

Preview

Coordinates	7128791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C153 H136 Cl17 Er3 N12 O18
Calculated formula	C153 H136 Cl17 Er3 N12 O18
Title of publication	Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates.
Authors of publication	Chang, Fei-Fan; Feng, Fan-da; Geng, Jiao; Huang, Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	73
Pages of publication	9220 - 9223
a	18.542 ± 0.005 Å
b	30.471 ± 0.009 Å
c	29.708 ± 0.008 Å
α	90°
β	90.151 ± 0.007°
γ	90°
Cell volume	16785 ± 8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0831
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
269605 (current)	2021-10-06	cif/ Updating files of 7128789, 7128790, 7128791 Original log message: Adding full bibliography for 7128789--7128791.cif.	7128791.cif
268030	2021-08-12	cif/ Adding structures of 7128789, 7128790, 7128791 via cif-deposit CGI script.	7128791.cif