Crystallography Open Database

Information card for entry 1563780

Preview

Coordinates	1563780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H46 Cl6 Cu4 N5 O5
Calculated formula	C12 H26 Cl6 Cu4 N4 O
Title of publication	[Cu4OCl6(DABCO)2]·0.5DABCO·4CH3OH (“MFU-5”): Modular synthesis of a zeolite-like metal-organic framework constructed from tetrahedral {Cu4OCl6} secondary building units and linear organic linkers
Authors of publication	Liu, Ying-Ya; Grzywa, Maciej; Weil, Matthias; Volkmer, Dirk
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	1
Pages of publication	208 - 217
a	25.645 ± 0.009 Å
b	25.645 ± 0.009 Å
c	17.105 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	9742 ± 8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
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
266775 (current)	2021-06-29	cif/ Adding structures of 1563780 via cif-deposit CGI script.	1563780.cif