Crystallography Open Database

Information card for entry 4339652

Preview

Coordinates	4339652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H10 Cl2 N2 O Pd
Calculated formula	C3 H10 Cl2 N2 O Pd
SMILES	[Pd]1([NH2]CC(O)C[NH2]1)(Cl)Cl
Title of publication	Cyclic tetranuclear and hexanuclear palladium(II) complexes and their host-guest chemistry.
Authors of publication	Walmsley, Judith A.; Zhu, Shourong; Matilla, Antonio; Donowick, Tiffanee G.; Cramp, Jessica E.; Tercero, Jose Manuel; Dalrymple, Tatyana
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9945 - 9953
a	8.533 ± 0.002 Å
b	8.766 ± 0.002 Å
c	10.749 ± 0.002 Å
α	90°
β	105.01 ± 0.03°
γ	90°
Cell volume	776.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179499 (current)	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 4/33/96.	4339652.cif
117449	2014-06-15	cif/ Adding structures of 4339652 via cif-deposit CGI script.	4339652.cif