Crystallography Open Database

Information card for entry 4310190

Preview

Coordinates	4310190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl N P Pd
Calculated formula	C36 H39 Cl N P Pd
SMILES	[Pd]1(Cl)([P]([C@@H](C)c2c(ccc(c2)C)C)(c2ccccc2)c2ccccc2)[N]([C@@H](c2c1ccc1ccccc21)C)(C)C
Title of publication	Stereochemical Investigations of a Novel Class of Chiral Phosphapalladacycle Complexes Derived from 1-[(2,5-Dimethyl)phenyl]ethyldiphenylphosphine
Authors of publication	Joseph Kok-Peng Ng; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Jagadese J. Vittal; Pak-Hing Leung
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9874 - 9886
a	11.789 ± 0.0007 Å
b	13.1284 ± 0.0007 Å
c	21.3695 ± 0.0012 Å
α	90°
β	91.779 ± 0.001°
γ	90°
Cell volume	3305.8 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179140 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01.	4310190.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4310190.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310190.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310190.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310190.cif