Crystallography Open Database

Information card for entry 1568379

Preview

Coordinates	1568379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C422 H299 B11.5 F47 N72 O27.75 Zn8
Calculated formula	C422 H288 B11.75 F47 N72 O27.4999 Zn8
Title of publication	Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.
Authors of publication	Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	8
Pages of publication	2237 - 2244
a	27.5152 ± 0.0014 Å
b	48.566 ± 0.003 Å
c	55.058 ± 0.003 Å
α	90°
β	91.649 ± 0.001°
γ	90°
Cell volume	73544 ± 7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.3647
Residual factor for significantly intense reflections	0.1153
Weighted residual factors for significantly intense reflections	0.2815
Weighted residual factors for all reflections included in the refinement	0.3155
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281344 (current)	2023-03-04	cif/ Updating files of 1568379, 1568380 Original log message: Adding full bibliography for 1568379--1568380.cif.	1568379.cif
280709	2023-02-01	cif/ Adding structures of 1568379, 1568380 via cif-deposit CGI script.	1568379.cif