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_7012508
_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         '[Zn2(T2PrO)Br(H2O)2](ClO4)2'
_chemical_formula_sum            'C15 H37 Br Cl2 N6 O11 Zn2'
_chemical_formula_weight         755.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             02-09-09
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 96.445(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   11.8040(10)
_cell_length_b                   10.5204(9)
_cell_length_c                   21.619(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      1.9
_cell_volume                     2667.7(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      150
_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  .054
_diffrn_reflns_av_sigmaI/netI    .049
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            56052
_diffrn_reflns_theta_max         28.9
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.561
_exptl_absorpt_correction_T_max  .86
_exptl_absorpt_correction_T_min  .62
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.89
_exptl_crystal_description       wedge
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .16
_exptl_crystal_size_min          .12
_refine_diff_density_max         4.749
_refine_diff_density_min         -1.366
_refine_ls_goodness_of_fit_all   1.373
_refine_ls_goodness_of_fit_ref   1.289
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5691
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .086
_refine_ls_R_factor_gt           .07
_refine_ls_shift/su_max          .006
_refine_ls_shift/su_mean         .0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .147
_refine_ls_wR_factor_ref         .124
_reflns_d_resolution_high        .735
_reflns_d_resolution_low         10.795
_reflns_Friedel_coverage         0
_reflns_limit_h_max              16
_reflns_limit_h_min              0
_reflns_limit_k_max              14
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              -29
_reflns_number_gt                5691
_reflns_number_total             7023
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b211490a.txt
_cod_data_source_block           2
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_original_formula_sum        'C15 H37 Br1 Cl2 N6 O11 Zn2'
_cod_database_code               7012508