Crystallography Open Database

Information card for entry 4508946

Preview

Coordinates	4508946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Cd Cl4 N2
Calculated formula	C8 H14 Cd Cl4 N2
SMILES	[Cd](Cl)(Cl)([Cl-])[Cl-].[nH+]1c(c([nH+]c(c1C)C)C)C
Title of publication	Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires
Authors of publication	Lu, Jianjiang; Kochi, Jay K.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	1
Pages of publication	291
a	6.3661 ± 0.0009 Å
b	14.371 ± 0.002 Å
c	15.157 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1386.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
179625 (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 4/50/89.	4508946.cif
97032	2014-01-29	cif/ Adding structures of 4508946 via cif-deposit CGI script.	4508946.cif