Crystallography Open Database

Information card for entry 1568608

Preview

Coordinates	1568608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Fe N8 O4
Calculated formula	C44 H32 Fe N8 O4
Title of publication	Nanoscale Two-Dimensional FeII- and CoII-Based Metal–Organic Frameworks of Porphyrin Ligand for the Photodynamic Therapy of Breast Cancer
Authors of publication	Li, Qing; Xu, Bo-Wei; Zou, Yi-Ming; Niu, Ru-Jie; Chen, Jin-Xiang; Zhang, Wen-Hua; Young, David James.
Journal of publication	Molecules
Year of publication	2023
Journal volume	28
Journal issue	5
Pages of publication	2125
a	9.8772 ± 0.0004 Å
b	9.1364 ± 0.0003 Å
c	20.2948 ± 0.0007 Å
α	90°
β	103.341 ± 0.0017°
γ	90°
Cell volume	1782.02 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0716
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568608.html