Crystallography Open Database

Information card for entry 4344889

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Coordinates	4344889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H28 Cu3 N4 O13
Calculated formula	C46 H27 Cu3 N4 O12.999
Title of publication	Expanded Porous Metal-Organic Frameworks by SCSC: Organic Building Units Modifying and Enhanced Gas-Adsorption Properties.
Authors of publication	Fan, Weidong; Lin, Huan; Yuan, Xue; Dai, Fangna; Xiao, Zhenyu; Zhang, Liangliang; Luo, Liwen; Wang, Rongming
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	13
Pages of publication	6420 - 6425
a	34.1668 ± 0.001 Å
b	34.1668 ± 0.001 Å
c	19.3425 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	22579.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.193
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2285
Goodness-of-fit parameter for all reflections included in the refinement	0.636
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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