Crystallography Open Database

Information card for entry 1568380

Preview

Coordinates	1568380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8
Calculated formula	C453.5 H289.5 B7.5 Br F30 N77.5 O62.0005 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	27.2167 ± 0.0015 Å
b	33.1187 ± 0.0019 Å
c	38.817 ± 0.002 Å
α	88.598 ± 0.002°
β	88.357 ± 0.001°
γ	83.075 ± 0.002°
Cell volume	34712 ± 3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2409
Residual factor for significantly intense reflections	0.1497
Weighted residual factors for significantly intense reflections	0.3963
Weighted residual factors for all reflections included in the refinement	0.4502
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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.	1568380.cif
280709	2023-02-01	cif/ Adding structures of 1568379, 1568380 via cif-deposit CGI script.	1568380.cif