Crystallography Open Database

Information card for entry 4121119

Preview

Coordinates	4121119.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN224No
Formula	C144 H72 N12 O64 Zr15
Calculated formula	C144 H72 N12 O64 Zr15
Title of publication	Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination
Authors of publication	Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17105 - 17110
a	38.465 ± 0.018 Å
b	38.465 ± 0.018 Å
c	38.465 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	56911 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	110 ± 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	0.2231
Residual factor for significantly intense reflections	0.1729
Weighted residual factors for significantly intense reflections	0.4091
Weighted residual factors for all reflections included in the refinement	0.44
Goodness-of-fit parameter for all reflections included in the refinement	1.542
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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