Crystallography Open Database

Information card for entry 7132545

Preview

Coordinates	7132545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H144 B6 F24 N24 Pd3
Calculated formula	C204 H144 B6 F24 N24 Pd3
Title of publication	Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.
Authors of publication	Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	9
Pages of publication	1184 - 1187
a	16.7748 ± 0.0003 Å
b	28.6322 ± 0.0005 Å
c	29.6738 ± 0.0005 Å
α	110.451 ± 0.001°
β	94.927 ± 0.001°
γ	100.329 ± 0.001°
Cell volume	12965.9 ± 0.4 Å³
Cell temperature	307 ± 2 K
Ambient diffraction temperature	307 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2494
Residual factor for significantly intense reflections	0.1022
Weighted residual factors for significantly intense reflections	0.2379
Weighted residual factors for all reflections included in the refinement	0.309
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289378 (current)	2024-02-04	cif/ Updating files of 7132542, 7132543, 7132544, 7132545 Original log message: Adding full bibliography for 7132542--7132545.cif.	7132545.cif
288510	2023-12-23	cif/ Adding structures of 7132542, 7132543, 7132544, 7132545 via cif-deposit CGI script.	7132545.cif