Crystallography Open Database

Information card for entry 4500786

Preview

Coordinates	4500786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H150 Cl5 Cu17 N60 O3
Calculated formula	C168 H144 Cl5 Cu17 N60 O3
Title of publication	Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations
Authors of publication	Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2546
a	20.014 ± 0.005 Å
b	37.956 ± 0.008 Å
c	25.085 ± 0.008 Å
α	90°
β	109.384 ± 0.003°
γ	90°
Cell volume	17976 ± 8 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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