Copper(II) and Gallium(III) Complexes of trans-Bis(2-hydroxybenzyl) Cyclen Derivatives: Absence of a Cross-Bridge Proves Surprisingly More Favorable.
Esteves, Catarina V.; Madureira, Joana; Lima, Luís M P; Mateus, Pedro; Bento, Isabel; Delgado, Rita; Inorganic chemistry 53 (2014) 4371–4386; doi:10.1021/ic403156h

data_4338191
_publ_section_title
;
 Copper(II) and Gallium(III) Complexes of trans-Bis(2-hydroxybenzyl)
 Cyclen Derivatives: Absence of a Cross-Bridge Proves Surprisingly More
 Favorable.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4371
_journal_page_last               4386
_journal_paper_doi               10.1021/ic403156h
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C22 H34 Ga N5 O7'
_chemical_formula_weight         550.26
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 92.5540(10)
_cell_angle_gamma                90.00
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_cell_length_a                   10.0897(3)
_cell_length_b                   13.0832(4)
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_cell_volume                     2371.30(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS-KAPPA APEX II diffractometer'
_diffrn_measurement_method       'profile data from \q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_T_max  0
_exptl_absorpt_correction_T_min  0
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.85
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7235
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0652P)^2^+0.4658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                5612
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic403156h_si_002.cif
_cod_data_source_block           gado2ph
_cod_depositor_comments
'Adding full bibliography for 4338190--4338192.cif.'
_cod_database_code               4338191