Novel one-dimensional structures and solution behaviour of copper(II) bromide and chloride complexes of a new pentapyridyldiamine ligand.
Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.; Bernhardt, Paul V.; Dalton transactions (Cambridge, England : 2003)  (2004) 778–787; doi:10.1039/b315202b

data_7013830
_publ_section_title
;
 Novel one-dimensional structures and solution behaviour of copper(II)
 bromide and chloride complexes of a new pentapyridyldiamine ligand.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              778
_journal_page_last               787
_journal_paper_doi               10.1039/b315202b
_journal_year                    2004
_chemical_formula_moiety         'C31 H31 Br2 Cu2 N7 2+,2(Cl O4 1-),C2 H3 N'
_chemical_formula_sum            'C33 H34 Br2 Cl2 Cu2 N8 O8'
_chemical_formula_weight         1028.5
_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'
_cell_angle_alpha                90
_cell_angle_beta                 102.53(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.643(5)
_cell_length_b                   22.669(5)
_cell_length_c                   15.249(6)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     3929(2)
_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  0.014
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6403
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    3.294
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.74
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2056.0
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.65
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     458
_refine_ls_number_reflns         3389
_refine_ls_R_factor_gt           0.050
_refine_ls_shift/su_max          0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.070
_reflns_number_gt                3389
_reflns_number_total             6149
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b315202b.txt
_cod_data_source_block           '[Cu2(L)Br2](ClO4).CH3CN'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7013830