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_7010006
_publ_section_title
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 Copper(II/I) complexes of a bulky tris(pyrazolylmethyl)amine ligand
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_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            'C37 H45 Cu F12 N7 O5 Sb2'
_chemical_formula_weight         1202.8
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 90.87(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.044(7)
_cell_length_b                   14.300(5)
_cell_length_c                   28.578(20)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      10
_cell_measurement_theta_min      9
_cell_volume                     4513(5)
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            8350
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        6
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    1.760
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_density_diffrn    1.77
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2380.0
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.38
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     501
_refine_ls_number_reflns         5291
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.105
_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         0.077
_reflns_number_gt                5291
_reflns_number_total             7908
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            b005081o.txt
_cod_data_source_block           COMPOUND3
_cod_depositor_comments
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The original entry contained the following two atoms:

MeO 0.098(6) 0.074(5) 0.069(5) 0.011(4) 0.017(4) 0.016(4) Me
MeC 0.105(9) 0.111(9) 0.084(9) 0.009(9) -0.001(8) -0.001(8) Me

Their atom label was changed to:
MeO 0.098(6) 0.074(5) 0.069(5) 0.011(4) 0.017(4) 0.016(4) O
MeC 0.105(9) 0.111(9) 0.084(9) 0.009(9) -0.001(8) -0.001(8) C

Luca Lutterotti
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_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C37 H45 Cu1 F12 N7 O5 Sb2'
_cod_database_code               7010006