Crystallography Open Database

Information card for entry 1513200

Preview

Coordinates	1513200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Cl P2 Pd
Calculated formula	C25 H29 Cl P2 Pd
SMILES	[Pd](Cl)([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)C(=C=C)c1ccccc1
Title of publication	Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands
Authors of publication	Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	398
Pages of publication	54 - 63
a	9.2242 ± 0.0003 Å
b	9.4337 ± 0.0003 Å
c	15.2031 ± 0.0004 Å
α	89.97 ± 0.001°
β	81.774 ± 0.001°
γ	74.289 ± 0.001°
Cell volume	1259.41 ± 0.07 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	0.0398
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	1513200.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513200.cif
91889	2013-12-18	cif/ Adding structures of 1513200 via cif-deposit CGI script.	1513200.cif