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_7013832
_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 Cl3 Cu2 N7 1+,Cl 1-,6(H2 O)'
_chemical_formula_sum            'C31 H43 Cl4 Cu2 N7 O6'
_chemical_formula_weight         878.6
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_cell_angle_alpha                90
_cell_angle_beta                 113.12(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.159(15)
_cell_length_b                   16.587(5)
_cell_length_c                   21.312(11)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      20
_cell_measurement_theta_min      18
_cell_volume                     8179(7)
_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_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            7171
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  30min
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    4.122
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(DeMeulenaer & Tompa, 1965)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3616.0
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.21
_refine_diff_density_min         -1.05
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.77
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     464
_refine_ls_number_reflns         4122
_refine_ls_R_factor_gt           0.057
_refine_ls_shift/su_max          0.006
_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         0.079
_reflns_number_gt                4122
_reflns_number_total             6962
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b315202b.txt
_cod_data_source_block           '[Cu2(L)Cl3]Cl.6H2O'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7013832