#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003369.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2003369
_journal_name_full     'Acta Crystallographica'
_journal_year          1995
_journal_volume    	C51
_journal_page_first    	593
_journal_page_last    	595
_publ_section_title    	
;
cis-Dichloro[bis(diphenylphosphino)ethane]palladium(II)
;
_chemical_formula_moiety    	'C26 H24 Cl2 P2 Pd1'
_chemical_formula_sum    	'C26 H24 Cl2 P2 Pd1'
_chemical_formula_weight    	575.729
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,1/2+z'
    '-x,-y,-z'
    '-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	11.925(1)
_cell_length_b    	13.293(3)
_cell_length_c    	16.314(2)
_cell_angle_alpha    	90.
_cell_angle_beta    	99.21(1)
_cell_angle_gamma    	90.
_cell_volume    	2552.7(7)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.498(5)
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'CuK\a'
_diffrn_radiation_wavelength    	1.5418
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	10
_cell_measurement_theta_max    	40
_exptl_absorpt_coefficient_mu    	9.69
_cell_measurement_temperature    	295
_exptl_crystal_description    	'plate'
_exptl_crystal_size_max    	1.00
_exptl_crystal_size_mid    	0.75
_exptl_crystal_size_min    	0.25
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'yellow'
_chemical_compound_source    	'from CH~2~Cl~2~/hexane'
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'empirical'
_exptl_absorpt_correction_T_min    	0.7071
_exptl_absorpt_correction_T_max    	0.9950
_diffrn_reflns_number    	3425
_reflns_number_total    	3243
_reflns_number_observed    	2603
_reflns_observed_criterion    	F>4\s(F)
_diffrn_reflns_av_R_equivalents    	0.050
_diffrn_reflns_theta_max    	59.8
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	12
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	14
_diffrn_reflns_limit_l_min    	-18
_diffrn_reflns_limit_l_max    	18
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	60
_diffrn_standards_decay_%    	5
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.084
_refine_ls_wR_factor_obs    	0.084
_refine_ls_goodness_of_fit_obs    	3.22
_refine_ls_number_reflns    	2593
_refine_ls_number_parameters    	280
_refine_ls_hydrogen_treatment    	'noref'
_refine_ls_weighting_scheme    	'w = 0.5669/\s^2^(F)'
_refine_ls_shift/esd_max    	0.072
_refine_diff_density_max    	0.27
_refine_diff_density_min    	-0.10
_refine_ls_extinction_method    	?
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	
; IntTabIV for Pd and Cromer & Mann (1968) for other
non-H atoms
;
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Pd .12844(7) .21945(5) .70806(5) 0.059(4)
    P1 -.0296(2) .2116(2) .6086(2) 0.035(1)
    P2 .2338(2) .1799(2) .6089(2) 0.040(1)
    Cl1 .2981(3) .2041(2) .8102(2) 0.056(1)
    Cl2 .0060(3) .2667(2) .8044(2) 0.059(1)
    C1 .0171(9) .1395(8) .5228(7) 0.042(5)
    C2 .1346(10) .1806(8) .5079(7) 0.047(6)
    C3 .3567(10) .2630(8) .5915(7) 0.046(6)
    C4 .4024(12) .3295(9) .6589(7) 0.052(7)
    C5 .4930(12) .3954(10) .6429(10) 0.054(8)
    C6 .5324(11) .3972(10) .5680(10) 0.074(8)
    C7 .4855(11) .3326(10) .5056(8) 0.061(7)
    C8 .3966(12) .2681(9) .5187(7) 0.055(5)
    C9 .2873(9) .0495(8) .6173(7) 0.045(6)
    C10 .2465(12) -.0124(8) .6757(8) 0.068(7)
    C11 .2767(13) -.1130(10) .6793(9) 0.074(8)
    C12 .3508(12) -.1514(9) .6295(9) 0.066(8)
    C13 .3875(15) -.0909(11) .5708(13) 0.102(11)
    C14 .3533(14) .0119(10) .5658(12) 0.102(11)
    C15 -.0863(9) .3299(8) .5661(7) 0.043(5)
    C16 -.1414(13) .3391(8) .4836(8) 0.057(7)
    C17 -.1842(14) .4323(11) .4532(9) 0.083(9)
    C18 -.1792(4) .5127(10) .5040(14) 0.093(11)
    C19 -.1273(14) .5065(9) .5857(10) 0.070(8)
    C20 -.0781(13) .4137(8) .6154(8) 0.069(7)
    C21 -.1506(9) .1410(8) .6391(8) 0.046(6)
    C22 -.2615(11) .1867(9) .6427(9) 0.061(7)
    C23 -.3503(12) .1332(12) .6665(11) 0.085(9)
    C24 -.3341(12) .0319(12) .6893(12) 0.094(10)
    C25 -.2286(15) -.0114(10) .6848(10) 0.088(9)
    C26 -.1375(11) .0431(9) .6589(9) 0.065(7)
    H1a -.0444 .1481 .4669 0.05
    H1b .0248 .0608 .5393 0.05
    H2a .1680 .1333 .4636 0.05
    H2b .1250 .2565 .4841 0.05
    H4 .3709 .3299 .7174 0.05
    H5 .5314 .4452 .6917 0.05
    H6 .5991 .4486 .5582 0.05
    H7 .5168 .3316 .4471 0.05
    H8 .3585 .2204 .4682 0.05
    H10 .1926 .0178 .7169 0.05
    H11 .2424 -.1623 .7216 0.05
    H12 .3793 -.2285 .6368 0.05
    H13 .4414 -.1206 .5293 0.05
    H14 .3811 .0603 .5198 0.05
    H16 -.1507 .2740 .4435 0.05
    H17 -.2214 .4398 .3887 0.05
    H18 -.2165 .5830 .4804 0.05
    H19 -.1242 .5710 .6262 0.05
    H20 -.0331 .4091 .6783 0.05
    H22 -.2743 .2650 .6263 0.05
    H23 -.4314 .1690 .6675 0.05
    H24 -.4013 -.0114 .7094 0.05
    H25 -.2153 -.0896 .7018 0.05
    H26 -.0580 .0058 .6553 0.05