Crystallography Open Database

Information card for entry 4134637

Preview

Coordinates	4134637.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-224
Chemical name	Hf-TBB
Formula	C72.29 H39.16 Hf6.02 N6.02 O32.13
Calculated formula	C72 H45 Hf6 N6 O32
Title of publication	Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy.
Authors of publication	Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7334 - 7339
a	38.585 ± 0.01 Å
b	38.585 ± 0.01 Å
c	38.585 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	57445 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251463 (current)	2020-05-04	cif/ Updating files of 4134637 Original log message: Adding full bibliography for 4134637.cif.	4134637.cif
250511	2020-04-09	cif/ Adding structures of 4134637 via cif-deposit CGI script.	4134637.cif