Crystallography Open Database

Information card for entry 4501127

Preview

Coordinates	4501127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Cu2 N2 O9
Calculated formula	C28 H18 Cu2 N2 O9
Title of publication	Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks
Authors of publication	Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5167
a	14.7964 ± 0.0006 Å
b	11.0068 ± 0.0005 Å
c	16.5455 ± 0.001 Å
α	90°
β	115.37 ± 0.001°
γ	90°
Cell volume	2434.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0795
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179542 (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 4/50/11.	4501127.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501127.cif
34763	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501127 via cif-deposit CGI script.	4501127.cif