Crystallography Open Database

Information card for entry 4501594

Preview

Coordinates	4501594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 N4 O11 Zn2
Calculated formula	C27 H25 N4 O11 Zn2
Title of publication	Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary Coligands
Authors of publication	Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2641
a	18.543 ± 0.003 Å
b	11.3866 ± 0.0016 Å
c	26.959 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5692.2 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2536
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179546 (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 4/50/15.	4501594.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501594.cif
35983	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501594 via cif-deposit CGI script.	4501594.cif