<i>catena</i>-Poly[[[bis(<i>O</i>,<i>O</i>'-diisobutyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)]-μ-1,2-bis(4-pyridylmethylene)hydrazine-κ^2^<i>N</i>:<i>N</i>'] toluene disolvate]
Berdugo, Erick; Tiekink, Edward R. T.; Acta Crystallographica Section E 64 (2008) m911–; doi:10.1107/S1600536808017121

data_2218774
_publ_section_title
;<i>catena</i>-Poly[[[bis(<i>O</i>,<i>O</i>'-diisobutyl
 dithiophosphato-\k^2^<i>S</i>,<i>S</i>')nickel(II)]-\m-1,2-bis(4-pyridylmethylene)hydrazine-\k^2^<i>N</i>:<i>N</i>']
 toluene disolvate]
;
_journal_coeditor_code           NG2459
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m911
_journal_paper_doi               10.1107/S1600536808017121
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ni (C8 H18 O2 P S2)2 (C12 H10 N4)], 2C7 H7'
_chemical_formula_moiety         'C28 H46 N4 Ni O4 P2 S4, 2C7 H8'
_chemical_formula_sum            'C42 H62 N4 Ni O4 P2 S4'
_chemical_formula_weight         935.85
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis(<i>O</i>,<i>O</i>'-diisobutyl
dithiophosphato-\k^2^<i>S</i>,<i>S</i>')nickel(II)]-\m-1,2-
bis(4-pyridylmethylene)hydrazine-\k^2^<i>N</i>:<i>N</i>'] toluene disolvate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.662(10)
_cell_angle_beta                 86.528(10)
_cell_angle_gamma                69.321(6)
_cell_formula_units_Z            1
_cell_length_a                   8.7132(15)
_cell_length_b                   12.089(2)
_cell_length_c                   12.293(2)
_cell_measurement_reflns_used    4131
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      40.7
_cell_measurement_theta_min      2.3
_cell_volume                     1201.4(4)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHEXLS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      28(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku AFC12\K/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_av_sigmaI/netI    0.048
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8239
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.3
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown-orange
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.64
_refine_diff_density_min         -0.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         5457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.059
_refine_ls_R_factor_gt           0.054
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.064P)^2^+1.4047P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.138
_refine_ls_wR_factor_ref         0.142
_reflns_number_gt                4980
_reflns_number_total             5457
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2459.cif
_cod_data_source_block           I
_cod_database_code               2218774
_cod_database_fobs_code          2218774