Crystallography Open Database

Information card for entry 4501593

Preview

Coordinates	4501593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cd3 N6 O16
Calculated formula	C42 H28 Cd3 N6 O16
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	9.9286 ± 0.0008 Å
b	28.491 ± 0.002 Å
c	14.9067 ± 0.0012 Å
α	90°
β	93.613 ± 0.001°
γ	90°
Cell volume	4208.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	4501593.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501593.cif
35982	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501593 via cif-deposit CGI script.	4501593.cif