Crystallography Open Database

Information card for entry 4332761

Preview

Coordinates	4332761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 I4 N10 Pd2
Calculated formula	C28 H46 I4 N10 Pd2
SMILES	I[Pd]1(=C2N(CCCC)C=CN2CN2C(N(CCCC)C=N2)=[Pd](I)(I)=C2N(CCCC)C=CN2CN2C=1N(CCCC)C=N2)I
Title of publication	Syntheses and Characterization of Unsymmetric Dicationic Salts Incorporating Imidazolium and Triazolium Functionalities
Authors of publication	Wang, Ruihu; Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	16
Pages of publication	6396 - 6403
a	7.8006 ± 0.0005 Å
b	15.262 ± 0.0009 Å
c	15.8084 ± 0.001 Å
α	90°
β	94.813 ± 0.001°
γ	90°
Cell volume	1875.4 ± 0.2 Å³
Cell temperature	87 ± 2 K
Ambient diffraction temperature	87 ± 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	0.0502
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	4332761.cif
179430	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332761.cif
98532	2014-01-30	cif/ Adding structures of 4332761 via cif-deposit CGI script.	4332761.cif