Crystallography Open Database

Information card for entry 4070749

Preview

Coordinates	4070749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Cl2 P2 Pd2
Calculated formula	C40 H48 Cl2 P2 Pd2
SMILES	C1(=C(c2ccccc2)[Pd]2([P]1(C(C)C)C(C)C)[Cl][Pd]1(C(=C(c3ccccc3)[P]1(C(C)C)C(C)C)c1ccccc1)[Cl]2)c1ccccc1
Title of publication	Synthesis and Characterization of Novel Four-Membered Palladacycles
Authors of publication	Yan, Xiaoyu; Xi, Chanjuan
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	152
a	9.2167 ± 0.0003 Å
b	12.9557 ± 0.0005 Å
c	16.6165 ± 0.0006 Å
α	90°
β	95.89 ± 0.002°
γ	90°
Cell volume	1973.68 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178596 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07.	4070749.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070749.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070749.cif
42673	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070749 via cif-deposit CGI script.	4070749.cif