Asymmetry in endogenously bridged binuclear copper(ii) and zinc(ii) complexes formed by 1,2-bis[1,4,7-triazacyclonon-1-yl]propan-2-olElectronic supplementary information (ESI) available: Table S1 presenting selected ligand skeletal torsion angles. See http://www.rsc.org/suppdata/dt/b2/b211490a/
Fry, Fiona H.; Moubaraki, Boujemaa; Murray, Keith S.; Spiccia, Leone; Warren, Mark; Skelton, Brian W.; White, Allan H.; Dalton Transactions  (2003) 866–; doi:10.1039/b211490a

data_7012507
_publ_section_title
;
 Asymmetry in endogenously bridged binuclear copper(ii) and zinc(ii)
 complexes formed by
 1,2-bis[1,4,7-triazacyclonon-1-yl]propan-2-olElectronic supplementary
 information (ESI) available: Table S1 presenting selected ligand
 skeletal torsion angles. See
 http://www.rsc.org/suppdata/dt/b2/b211490a/
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              866
_journal_paper_doi               10.1039/b211490a
_journal_year                    2003
_chemical_formula_moiety         '[Cu2(T2PrO)Br2]Br.2H2O'
_chemical_formula_sum            'C15 H33 Br3 Cu2 N6 O3'
_chemical_formula_weight         712.27
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             99-10-12
_audit_creation_method           Xtal3.6
_cell_angle_alpha                64.635(2)
_cell_angle_beta                 78.858(3)
_cell_angle_gamma                89.469(3)
_cell_formula_units_Z            2
_cell_length_a                   7.4380(10)
_cell_length_b                   13.326(2)
_cell_length_c                   13.812(3)
_cell_measurement_reflns_used    4333
_cell_measurement_temperature    293
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     1209.6(4)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0683
_diffrn_reflns_av_sigmaI/netI    .082
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13565
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    6.74
_exptl_absorpt_correction_T_max  .894
_exptl_absorpt_correction_T_min  .371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_description       bar
_exptl_crystal_F_000             712
_exptl_crystal_size_max          .55
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .16
_refine_diff_density_max         1.813
_refine_diff_density_min         -1.22
_refine_ls_goodness_of_fit_all   1.594
_refine_ls_goodness_of_fit_ref   1.802
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .082
_refine_ls_R_factor_gt           .054
_refine_ls_shift/su_max          .043
_refine_ls_shift/su_mean         .005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .064
_refine_ls_wR_factor_ref         .061
_reflns_d_resolution_high        .73
_reflns_d_resolution_low         12.174
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              17
_reflns_limit_k_min              -17
_reflns_limit_l_max              18
_reflns_limit_l_min              -17
_reflns_number_gt                4201
_reflns_number_total             5844
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b211490a.txt
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      p_-1
_cod_database_code               7012507