Crystallography Open Database

Information card for entry 4500904

Preview

Coordinates	4500904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 Cu N2 O6
Calculated formula	C11 H13 Cu N2 O6
Title of publication	Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption
Authors of publication	Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	3905
a	27.6739 ± 0.0015 Å
b	13.1598 ± 0.0006 Å
c	8.6462 ± 0.0004 Å
α	90°
β	95.435 ± 0.003°
γ	90°
Cell volume	3134.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179540 (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 4/50/09.	4500904.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500904.cif
34677	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500904, 4500905, 4500906 via cif-deposit CGI script.	4500904.cif