#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003792.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_2003792
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume     C51
_journal_page_first     1533
_journal_page_last     1535
_publ_section_title
;
trans,trans-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]
;
_chemical_formula_sum     'C14 H28 N4 Ni2 P4'
_chemical_formula_weight     493.68
_symmetry_cell_setting     monoclinic
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2+x,1/2-y,1/2+z'
    '-x,-y,-z'
    '1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M     'P 21/n'
_cell_length_a     9.148(2)
_cell_length_b     11.461(2)
_cell_length_c     10.220(2)
_cell_angle_alpha     90
_cell_angle_beta     90.271(15)
_cell_angle_gamma     90
_cell_volume     1071.5(4)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.530
_exptl_crystal_density_meas     ?
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71069
_cell_measurement_reflns_used     23
_cell_measurement_theta_min     12
_cell_measurement_theta_max     17
_exptl_absorpt_coefficient_mu     2.066
_cell_measurement_temperature     296
_exptl_crystal_description     'Prism'
_exptl_crystal_size_max     0.80
_exptl_crystal_size_mid     0.48
_exptl_crystal_size_min     0.48
_exptl_crystal_size_rad     ?
_exptl_crystal_colour     'Orange-red'
_chemical_compound_source     'Recrystallized from a CH~2~Cl~2~/acetone'
_diffrn_measurement_device     'Enraf-Nonius CAD-4'
_diffrn_measurement_method     '\q/2\q'
_exptl_absorpt_correction_type     'empirical, (DIFABS; Walker & Stuart, 1983)'
_exptl_absorpt_correction_T_min     0.24
_exptl_absorpt_correction_T_max     0.35
_diffrn_reflns_number     6433
_reflns_number_total     3124
_reflns_number_observed     2166
_reflns_observed_criterion     I>=3\s(I)
_diffrn_reflns_av_R_equivalents     0.048
_diffrn_reflns_theta_max     30
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     2
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     2.9
_refine_ls_structure_factor_coef     F
_refine_ls_R_factor_obs     0.029
_refine_ls_wR_factor_obs     0.033
_refine_ls_goodness_of_fit_obs     1.79
_refine_ls_number_reflns     2166
_refine_ls_number_parameters     165
_refine_ls_hydrogen_treatment     'refxyz,refU'
_refine_ls_weighting_scheme     'w = 1/\s^2^(|F~o~|)'
_refine_ls_shift/esd_max     0.095
_refine_diff_density_max     0.49
_refine_diff_density_min     -0.43
_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
    Ni 0.16989(3) 0.00730(2) 0.03877(3) 0.0234(1)
    P(1) 0.09649(7) 0.08798(5) 0.22127(6) 0.0243(2)
    P(2) 0.23627(7) -0.07689(5) -0.14487(6) 0.0232(2)
    N(1) 0.3709(3) 0.2106(2) -0.0081(3) 0.0468(8)
    N(2) 0.0258(3) -0.2143(2) 0.1149(3) 0.0497(9)
    C(1) 0.2938(3) 0.1338(2) 0.0077(2) 0.0318(8)
    C(2) 0.0698(3) -0.1313(2) 0.0854(2) 0.0286(7)
    C(3) -0.0926(3) 0.0564(2) 0.2671(2) 0.0275(7)
    C(4) 0.1952(4) 0.0359(3) 0.3640(3) 0.0430(10)
    C(5) 0.1115(4) 0.2448(2) 0.2310(3) 0.0382(9)
    C(6) 0.3955(3) -0.0233(3) -0.2304(3) 0.0371(9)
    C(7) 0.2725(3) -0.2321(2) -0.1398(3) 0.0351(9)
    H(1) -.120(3) .100(3) .343(3) .043(8)
    H(2) -.097(4) -.016(3) .296(3) .05(1)
    H(3) .158(4) .073(3) .443(3) .051(9)
    H(4) .283(4) .052(3) .364(3) .06(1)
    H(5) .184(4) -.040(3) .373(3) .046(9)
    H(6) .063(3) .270(3) .299(3) .044(9)
    H(7) .211(4) .257(3) .235(3) .05(1)
    H(8) .074(4) .275(3) .146(3) .046(9)
    H(9) .367(4) -.244(3) -.086(3) .05(1)
    H(10) .197(3) -.273(2) -.093(3) .032(7)
    H(11) .273(3) -.255(2) -.227(3) .05(1)
    H(12) .407(3) -.068(3) -.304(3) .039(8)
    H(13) .379(4) .054(3) -.255(3) .06(1)
    H(14) .470(5) -.028(3) -.175(4) .08(1)