Crystallography Open Database

Information card for entry 4305192

Preview

Coordinates	4305192.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[PdAg(PP3)(NO3)3]
Formula	C42 H42 Ag N3 O9 P4 Pd
Calculated formula	C42 H42 Ag N3 O9 P4 Pd
SMILES	[Ag]1([P](CC[P]23[Pd]([P](CC2)(c2ccccc2)c2ccccc2)([P](CC3)(c2ccccc2)c2ccccc2)ON(=O)=O)(c2ccccc2)c2ccccc2)(ON(=[O]1)=O)ON(=O)=O
Title of publication	Novel Chelate Ring-Opening Induced by Silver(I) of Five-Coordinate Palladium(II) and Platinum(II) Complexes Containing Tripodal Polyphosphines
Authors of publication	D. Fernández-Anca; M. Inés García-Seijo; Alfonso Castiñeiras; M. Esther García-Fernández
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5685 - 5695
a	10.616 ± 0.007 Å
b	14.237 ± 0.003 Å
c	16.691 ± 0.003 Å
α	70.33 ± 0.015°
β	82.04 ± 0.04°
γ	74.68 ± 0.03°
Cell volume	2287.6 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2596
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179089 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/51.	4305192.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305192.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305192.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4305192.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4305192.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305192.cif