Crystallography Open Database

Information card for entry 4072964

Preview

Coordinates	4072964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H44 O2 P2 Pd
Calculated formula	C25 H44 O2 P2 Pd
SMILES	[Pd]12([P](Cc3c1c(ccc3)C[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(=O)O
Title of publication	Synthesis and Reactivity of (PCP) Palladium Hydroxy Carbonyl and Related Complexes toward CO2and Phenylacetylene
Authors of publication	Johansson, Roger; Wendt, Ola F.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	9
Pages of publication	2426
a	30.3983 ± 0.0011 Å
b	12.8608 ± 0.0007 Å
c	15.4378 ± 0.0009 Å
α	90°
β	111.773 ± 0.004°
γ	90°
Cell volume	5604.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.55
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
178618 (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 4/07/29.	4072964.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072964.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072964.cif
46087	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072963, 4072964, 4072965 via cif-deposit CGI script.	4072964.cif