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_7010007
_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 Cu2 N7 O3'
_chemical_formula_weight         815.8
_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_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_cell_angle_alpha                113.03(4)
_cell_angle_beta                 91.98(4)
_cell_angle_gamma                117.45(2)
_cell_formula_units_Z            2
_cell_length_a                   12.154(6)
_cell_length_b                   13.182(8)
_cell_length_c                   14.328(9)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      20
_cell_measurement_theta_min      18
_cell_volume                     1809(2)
_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_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3707
_diffrn_reflns_theta_max         50
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    3.187
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             840.0
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.43
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2893
_refine_ls_R_factor_gt           0.047
_refine_ls_shift/su_max          0.006
_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         0.070
_reflns_number_gt                2893
_reflns_number_total             3707
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            b005081o.txt
_cod_data_source_block           COMPOUND4
_cod_database_code               7010007