(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>')
Halfen, Jason A.; Tolman, William B.; Acta Crystallographica Section C 51 (1995) 215–217; doi:10.1107/S0108270194008991

data_2010440
_publ_section_title
;
 (Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I),
 (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>')
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              215
_journal_page_last               217
_journal_paper_doi               10.1107/S0108270194008991
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C36 H30 Cu1 N1 O2 P2'
_chemical_formula_sum            'C36 H30 Cu N O2 P2'
_chemical_formula_weight         634.13
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'IntTabIV, Table 2.3.1'
_cell_angle_alpha                90
_cell_angle_beta                 116.01(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.443(9)
_cell_length_b                   9.102(2)
_cell_length_c                   15.356(5)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    297
_cell_measurement_theta_max      24
_cell_measurement_theta_min      12
_cell_volume                     3070.4(18)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.093
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4009
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   'empirical, based on \y scans (3 measured)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.372(2)
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.72
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2457
_refine_ls_R_factor_obs          0.063
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef I
_refine_ls_weighting_details     w=4F~o~^2^/\s^2^(F~o~^2^)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          2457
_reflns_number_total             3919
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bk1045.cif
_cod_data_source_block           bk1045_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=4F~o~^2^/\s^2^(F~o~^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=4F~o~^2^/\s^2^(F~o~^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3070(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C36 H30 Cu1 N1 O2 P2'
_cod_database_code               2010440