Crystallography Open Database

Information card for entry 4328414

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Coordinates	4328414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H6 Cu2 O11
Calculated formula	C32 H6 Cu2 O11
Title of publication	Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake
Authors of publication	David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2503 - 2508
a	18.8423 ± 0.0019 Å
b	18.8423 ± 0.0019 Å
c	21.921 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7782.7 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	75
Hermann-Mauguin space group symbol	P 4
Hall space group symbol	P 4
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328414.cif
77380	2013-03-26	cif/ Adding structures of 4328414 via cif-deposit CGI script.	4328414.cif