Crystallography Open Database

Information card for entry 4503845

Preview

Coordinates	4503845.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu2(oba)2(dmf)2
Formula	C34 H30 Cu2 N2 O12
Calculated formula	C34 H30 Cu2 N2 O12
Title of publication	Microwave-Assisted Solvothermal Synthesis of a Dynamic Porous Metal-Carboxylate Framework
Authors of publication	Wang, Xiao-Feng; Zhang, Yue-Biao; Huang, Hong; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	12
Pages of publication	4559
a	23.567 ± 0.005 Å
b	15.899 ± 0.003 Å
c	17.476 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6548 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1764
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179573 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/38.	4503845.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503845.cif
41815	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503845 via cif-deposit CGI script.	4503845.cif