Crystallography Open Database

Information card for entry 4350008

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Coordinates	4350008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H74 Cu5 I4 N44 O16
Calculated formula	C33 H28 Cu5 I4 N5 O4
Title of publication	Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release
Authors of publication	Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	5
Pages of publication	1261
a	25.0169 ± 0.0009 Å
b	25.2369 ± 0.0008 Å
c	22.522 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	14219.2 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.2005
Weighted residual factors for all reflections included in the refinement	0.2514
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237939 (current)	2019-11-24	cif/ Adding structures of 4350008, 4350009 via cif-deposit CGI script.	4350008.cif