Crystallography Open Database

Information card for entry 7064374

Preview

Coordinates	7064374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.74 H1.43 Cu0.06 N0.23 O0.46
Calculated formula	C2.74286 H1.42857 Cu0.0571429 N0.228571 O0.457143
Title of publication	Characterizing the decomposition of CL-20 catalyzed by hydrophobic porphyrin MOFs
Authors of publication	Wang, Taihe; Zou, Chengling; Li, Yu; Mu, Yuxin; Wei, Jiale; Chen, Chao; Zhang, Yan; Li, Haijian; Yi, Jianhua; Ma, Haixia; Zhao, Fengqi
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	17
Pages of publication	7236 - 7246
a	9.148 ± 0.0002 Å
b	17.3159 ± 0.0003 Å
c	18.9994 ± 0.0004 Å
α	105.491 ± 0.002°
β	102.728 ± 0.002°
γ	90.995 ± 0.002°
Cell volume	2819.7 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1325
Residual factor for significantly intense reflections	0.105
Weighted residual factors for significantly intense reflections	0.3144
Weighted residual factors for all reflections included in the refinement	0.3403
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
306460 (current)	2026-06-05	cif/ Updating files of 7064374, 7064375, 7064376 Original log message: Adding full bibliography for 7064374--7064376.cif.	7064374.cif
305550	2026-04-16	cif/ Adding structures of 7064374, 7064375, 7064376 via cif-deposit CGI script.	7064374.cif