Bis(μ-tricyanomethanido)tetrakis(triphenylphosphine)dicopper(I)
Karl E. Bessler; Leandro A. de P. Calzavara; Victor M. Deflon; Elke Niquet; Acta Crystallographica Section E 57 (2001) m522–m523; doi:10.1107/S1600536801016373

data_2200743
_publ_section_title
;
 Bis(\m-tricyanomethanido)tetrakis(triphenylphosphine)dicopper(I)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m522
_journal_page_last               m523
_journal_paper_doi               10.1107/S1600536801016373
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         C80H60Cu2N6P4
_chemical_formula_sum            'C80 H60 Cu2 N6 P4'
_chemical_formula_weight         1356.30
_chemical_name_systematic
;
 Tetrakis(triphenylphosphine)-bis(\m-tricyanomethanido)dicopper(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.113(11)
_cell_angle_beta                 69.290(12)
_cell_angle_gamma                66.945(13)
_cell_formula_units_Z            1
_cell_length_a                   12.113(3)
_cell_length_b                   12.8530(16)
_cell_length_c                   13.0084(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      50.2
_cell_measurement_theta_min      29.9
_cell_volume                     1739.7(6)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius 1994)'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_molecular_graphics
'PLATON (Spek, 1997), ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full .987
_diffrn_measured_fraction_theta_max .987
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  .0774
_diffrn_reflns_av_sigmaI/netI    .0277
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6696
_diffrn_reflns_theta_full        64.98
_diffrn_reflns_theta_max         65.0
_diffrn_reflns_theta_min         5.06
_diffrn_standards_decay_%        2.2
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.996
_exptl_absorpt_correction_T_max  .81661
_exptl_absorpt_correction_T_min  .63361
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(Spek, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .10
_refine_diff_density_max         .640
_refine_diff_density_min         -.874
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5840
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          .0531
_refine_ls_R_factor_gt           .0521
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0797P)^2^+2.1459P], where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1523
_reflns_number_gt                5634
_reflns_number_total             5840
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om6057.cif
_cod_data_source_block           I
_cod_original_cell_volume        1739.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2200743
_cod_database_fobs_code          2200743