Copper(II/I) complexes of a bulky tris(pyrazolylmethyl)amine ligand
Zhixuan (Jack) Chen; Natasha Karasek; Donald C. Craig; Stephen B. Colbran; J. Chem. Soc., Dalton Trans.  (2000) 3445–3452; doi:10.1039/b005081o

data_7010004
_publ_section_title
;
 Copper(II/I) complexes of a bulky tris(pyrazolylmethyl)amine ligand
;
_journal_issue                   19
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              3445
_journal_page_last               3452
_journal_paper_doi               10.1039/b005081o
_journal_year                    2000
_chemical_formula_sum            'C36 H39 Cl2 Cu N7 O3'
_chemical_formula_weight         752.2
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                90
_cell_angle_beta                 104.575(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.314(2)
_cell_length_b                   20.573(2)
_cell_length_c                   12.094(2)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      27
_cell_measurement_theta_min      23
_cell_volume                     1761.2(6)
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3588
_diffrn_reflns_theta_max         70
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    2.656
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.44
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             782.0
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.39
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     324
_refine_ls_number_reflns         2922
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/su_max          0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0016F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.043
_reflns_number_gt                2922
_reflns_number_total             3580
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            b005081o.txt
_cod_data_source_block           COMPOUND1
_cod_original_cell_volume        1761.2(5)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C36 H39 Cl2 Cu1 N7 O3'
_cod_database_code               7010004