Crystallography Open Database

Information card for entry 7111744

Preview

Coordinates	7111744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H28 Cu2 O10
Calculated formula	C41 H24 Cu2 O10
Title of publication	Introduction of cavities up to 4 nm into a hierarchically-assembled metal‒organic framework using an angular, tetratopic ligand
Authors of publication	Zhuang, Wenjuan; Ma, Shengqian; Wang, Xi-Sen; Yuan, Daqiang; Li, Jian-Rong; Zhao, Dan; Zhou, Hong-Cai
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5223 - 5225
a	67.283 ± 0.01 Å
b	67.283 ± 0.01 Å
c	67.283 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	304590 ± 8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111744.cif
96761	2014-01-29	cif/ Adding structures of 7111744 via cif-deposit CGI script.	7111744.cif