Crystallography Open Database

Information card for entry 4519219

4519218 << 4519219 >> 4519220

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Coordinates	4519219.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn-TATB
Formula	C26 H18 Cl0.25 N4 O6 Zn1.5
Calculated formula	C26 H18 Cl0.25 N4 O6 Zn1.5
Title of publication	Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.
Authors of publication	Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	49
Pages of publication	58619 - 58629
a	17.958 ± 0.0002 Å
b	17.958 ± 0.0002 Å
c	26.0252 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8392.9 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	95
Hermann-Mauguin space group symbol	P 43 2 2
Hall space group symbol	P 4cw 2c
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271715 (current)	2022-01-03	cif/ Adding structures of 4519219 via cif-deposit CGI script.	4519219.cif