Crystallography Open Database

Information card for entry 4505531

Preview

Coordinates	4505531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H26 Cu Mg N O13
Calculated formula	C11 H26 Cu Mg N O13
Title of publication	Topologically Unique 2D Heterometallic CuII/Mg Coordination Polymer: Synthesis, Structural Features, and Catalytic Use in Alkane Hydrocarboxylation
Authors of publication	Kirillov, Alexander M.; Karabach, Yauhen Y.; Kirillova, Marina V.; Haukka, Matti; Pombeiro, Armando J. L.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1069
a	10.472 ± 0.0003 Å
b	10.561 ± 0.0003 Å
c	11.059 ± 0.0004 Å
α	96.271 ± 0.002°
β	114.843 ± 0.002°
γ	115.244 ± 0.001°
Cell volume	939.88 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179590 (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 4/50/55.	4505531.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505531.cif
51789	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505531 via cif-deposit CGI script.	4505531.cif