#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003583.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_2003583
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_journal_page_first    	1102
_journal_page_last    	1105
_publ_section_title    	
;
[M(CNMe)~4~][PF~6~]~2~ (M = Pt, Pd)
;
_chemical_formula_moiety    	'C8 H12 F12 N4 P2 Pd'
_chemical_formula_sum    	' C8 H12 F12 N4 P2 Pd1 '
_chemical_formula_weight    	560.5
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,y,-z'
    'y,-x,-z'
    '-y,x,-z'
    '1/2+x,1/2-y,z'
    '1/2-x,1/2+y,z'
    '1/2-y,1/2-x,z'
    '1/2+y,1/2+x,z'
    '-x,-y,-z'
    '-x,-y,z'
    '-y,x,z'
    'y,-x,z'
    '1/2-x,1/2+y,-z'
    '1/2+x,1/2-y,-z'
    '1/2+y,1/2+x,-z'
    '1/2-y,1/2-x,-z'
_symmetry_space_group_name_H-M    	'P 4/m b m'
_cell_length_a    	9.434(2)
_cell_length_b    	9.434(2)
_cell_length_c    	11.270(3)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1003.0(4)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.856
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	21
_cell_measurement_theta_min    	5
_cell_measurement_theta_max    	15
_exptl_absorpt_coefficient_mu    	1.17
_cell_measurement_temperature    	293
_exptl_crystal_description    	'regular block'
_exptl_crystal_size_max    	0.65
_exptl_crystal_size_mid    	0.45
_exptl_crystal_size_min    	0.45
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'clear'
_chemical_compound_source    	'Et~2~O/MeCN solvent diffusion'
_diffrn_measurement_device    	'Siemens P3m'
_diffrn_measurement_method    	\w/2\q
_exptl_absorpt_correction_type    	'Empirical (azimuthal scan)'
_exptl_absorpt_correction_T_min    	0.385
_exptl_absorpt_correction_T_max    	0.455
_diffrn_reflns_number    	1138
_reflns_number_total    	510
_reflns_number_observed    	424
_reflns_observed_criterion    	I>2\s(I)
_diffrn_reflns_av_R_equivalents    	0.0144
_diffrn_reflns_theta_max    	25
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	11
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	11
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	13
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	50
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	+-1
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0289
_refine_ls_wR_factor_obs    	0.0466
_refine_ls_goodness_of_fit_obs    	1.817
_refine_ls_number_reflns    	424
_refine_ls_number_parameters    	46
_refine_ls_hydrogen_treatment    	'H atoms riding with C-H = 0.96 \%A and U(H) =
_refine_ls_weighting_scheme    	'1/[\s~c~^2^(F)+0.0005F^2^]'
_refine_ls_shift/esd_max    	0.002
_refine_diff_density_max    	0.54
_refine_diff_density_min    	-0.46
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Pd(1) .0 -.5000 .0 .043(1)
    P(1) .0 .0 .0 .054(1)
    P(2) .5000 .0 .5000 .054(1)
    F(1) .0 .0 .1397(5) .108(2)
    F(2) -.0761(3) -.1494(3) .0 .082(1)
    F(3) .5043(5) -.1639(6) .5000 .150(3)
    F(4) .5000 .0 .3662(6) .193(5)
    N(1) .1688(3) -.3312(3) .1887(3) .060(1)
    C(1) .1067(3) -.3933(3) .1223(4) .050(1)
    C(2) .2515(4) -.2485(4) .2710(7) .087(2)
    H(2A) .2263 -.2737 .3508 .080
    H(2B) .2329 -.1496 .2585 .080