Crystallography Open Database

Information card for entry 7718294

Preview

Coordinates	7718294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H24 Cl F15 N6 Pd2
Calculated formula	C63 H24 Cl F15 N6 Pd2
Title of publication	Metal ions control configuration and <sup>1</sup>O<sub>2</sub> generation capacity of hexaphyrin(2.1.2.1.2.1) with embedded benzene.
Authors of publication	Wu, Jinrong; Lv, Xiaojuan; Xue, Zhaoli; Wang, Yue; Qiu, Fengxian; Xue, Songlin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	13
Pages of publication	5255 - 5258
a	19.17 ± 0.002 Å
b	28.916 ± 0.003 Å
c	23.167 ± 0.002 Å
α	90°
β	112.689 ± 0.005°
γ	90°
Cell volume	11848 ± 2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
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	0.1771
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.2034
Weighted residual factors for all reflections included in the refinement	0.2565
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300874 (current)	2025-07-06	cif/ Updating files of 7718293, 7718294 Original log message: Adding full bibliography for 7718293--7718294.cif.	7718294.cif
298392	2025-03-12	cif/ Adding structures of 7718293, 7718294 via cif-deposit CGI script.	7718294.cif