Crystallography Open Database

Information card for entry 7020846

7020845 << 7020846 >> 7020847

Preview

Coordinates	7020846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11.17 H18.02 Cu2 N0.25 O10
Calculated formula	C11.1666 H2 Cu2 N0.25 O10
Title of publication	Synthesis of a honeycomb-like Cu-based metal-organic framework and its carbon dioxide adsorption behaviour.
Authors of publication	Sanz, Raúl; Martínez, Fernando; Orcajo, Gisela; Wojtas, Lukasz; Briones, David
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	7
Pages of publication	2392 - 2398
a	25.9972 ± 0.0011 Å
b	25.9972 ± 0.0011 Å
c	6.2587 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	3663.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020846.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020846.cif
73684	2013-02-21	cif/ Adding structures of 7020846 via cif-deposit CGI script.	7020846.cif