Bis(μ-5-diisopropylamino-1,2,3,4-tetrazolido-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[(triisopropylphosphane)copper(I)]
Kobrsi, Issam; Bassioni, Ghada; Acta Crystallographica Section E 67 (2011) m975–m976; doi:10.1107/S1600536811022719

data_2230697
_publ_section_title
;
 Bis(\m-5-diisopropylamino-1,2,3,4-tetrazolido-\k^2^<i>N</i>^2^:<i>N</i>^3^)bis[(triisopropylphosphane)copper(I)]
;
_journal_coeditor_code           HP2003
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m975
_journal_page_last               m976
_journal_paper_doi               10.1107/S1600536811022719
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu2 (C7 H14 N5)2 (C9 H21 P)2]'
_chemical_formula_moiety         'C32 H70 Cu2 N10 P2'
_chemical_formula_sum            'C32 H70 Cu2 N10 P2'
_chemical_formula_weight         784.02
_chemical_name_systematic
;
Bis(\m-5-diisopropylamino-1,2,3,4-tetrazolido-
\k^2^<i>N</i>^2^:<i>N</i>^3^)bis[(triisopropylphosphane)copper(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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.273(2)
_cell_angle_beta                 96.993(2)
_cell_angle_gamma                93.548(2)
_cell_formula_units_Z            1
_cell_length_a                   7.3573(6)
_cell_length_b                   10.8987(8)
_cell_length_c                   12.7134(9)
_cell_measurement_reflns_used    8161
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.8
_cell_volume                     1006.43(13)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL-Plus (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'Bruker APEX2'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17280
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    1.171
_exptl_absorpt_correction_T_max  0.7910
_exptl_absorpt_correction_T_min  0.6745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.419
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         4689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          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^)+(0.0402P)^2^+0.4118P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                4336
_reflns_number_total             4689
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hp2003.cif
_cod_data_source_block           I
_cod_database_code               2230697
_cod_database_fobs_code          2230697