Crystallography Open Database

Information card for entry 4501591

Preview

Coordinates	4501591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 N3 O9 Zn
Calculated formula	C19 H13 N3 O9 Zn
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	26.386 ± 0.002 Å
b	9.7824 ± 0.0009 Å
c	14.8774 ± 0.0014 Å
α	90°
β	101.541 ± 0.001°
γ	90°
Cell volume	3762.5 ± 0.6 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	0.034
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	4501591.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501591.cif
35980	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501591 via cif-deposit CGI script.	4501591.cif