Crystallography Open Database

Information card for entry 4129280

Preview

Coordinates	4129280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C264 H168 N12 O38 Zn3 Zr6
Calculated formula	C264 H168 N12 O38 Zn3 Zr6
Title of publication	New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.
Authors of publication	Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	6
Pages of publication	2235 - 2238
a	25.4084 ± 0.0008 Å
b	25.4084 ± 0.0008 Å
c	25.4084 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	16403.3 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1451
Residual factor for significantly intense reflections	0.1012
Weighted residual factors for significantly intense reflections	0.2521
Weighted residual factors for all reflections included in the refinement	0.298
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
240034 (current)	2019-11-25	cif/ Adding structures of 4129279, 4129280, 4129281, 4129282 via cif-deposit CGI script.	4129280.cif