Crystallography Open Database

Information card for entry 4301487

Preview

Coordinates	4301487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H31 Cl2 O3 P3 Pd
Calculated formula	C37 H31 Cl2 O3 P3 Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)C([P]1(c1ccccc1)c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Title of publication	Bis(diphenylphosphino)methane-Phosphonate Ligands and Their Pd(II), Ni(II) and Cu(I) Complexes. Catalytic Oligomerization of Ethylene
Authors of publication	Adel Hamada; Pierre Braunstein
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1624 - 1637
a	10.479 ± 0.001 Å
b	15.764 ± 0.002 Å
c	20.732 ± 0.003 Å
α	90°
β	97.21 ± 0.05°
γ	90°
Cell volume	3397.7 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1554
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4301487.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301487.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301487.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301487.cif