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_7013831
_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 Br3 Cu2 N7 1+,Cl O4 1-'
_chemical_formula_sum            'C31 H31 Br3 Cl Cu2 N7 O4'
_chemical_formula_weight         967.9
_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'
_cell_angle_alpha                96.06(3)
_cell_angle_beta                 96.45(3)
_cell_angle_gamma                103.43(3)
_cell_formula_units_Z            2
_cell_length_a                   8.896(4)
_cell_length_b                   10.771(6)
_cell_length_c                   19.092(9)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      10
_cell_measurement_theta_min      9
_cell_volume                     1751.6(15)
_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  0.023
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6363
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    4.729
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.53
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.83
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             956.0
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.27
_refine_diff_density_min         -1.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.83
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     410
_refine_ls_number_reflns         3679
_refine_ls_R_factor_gt           0.058
_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         0.068
_reflns_number_gt                3679
_reflns_number_total             6160
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b315202b.txt
_cod_data_source_block           '[Cu2(L)Br3](ClO4)'
_cod_original_cell_volume        1752(2)
_cod_database_code               7013831