Crystallography Open Database

Information card for entry 1512952

Preview

Coordinates	1512952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cd2 I4 N12
Calculated formula	C34 H24 Cd2 I4 N12
SMILES	I[Cd]1(I)[n]2ccc(n3c(nnc3c3ncccc3)c3cc[n]([Cd](I)(I)[n]4ccc(n5c(nnc5c5ncccc5)c5cc[n]1cc5)cc4)cc3)cc2
Title of publication	Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands
Authors of publication	Jian Guo; Cheng-Peng Li; Miao Du
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	212 - 217
a	8.3752 ± 0.0007 Å
b	9.7463 ± 0.0008 Å
c	12.5595 ± 0.0011 Å
α	77.464 ± 0.001°
β	81.663 ± 0.001°
γ	89.535 ± 0.001°
Cell volume	989.89 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512952.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512952.cif
91284	2013-12-11	cif/ Adding structures of 1512952 via cif-deposit CGI script.	1512952.cif