Inter- and intra-molecular pathways in polyamine synthesis from diamines †
Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2001) 707–; doi:10.1039/b008452m

data_7010395
_publ_section_title
;
 Inter- and intra-molecular pathways in polyamine synthesis from
 diamines&#x200A;&#x2020;
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              707
_journal_paper_doi               10.1039/b008452m
_journal_year                    2001
_chemical_formula_sum            'C8 H22 Cl2 Cu N4 O8'
_chemical_formula_weight         436.74
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_cell_angle_gamma                90.00000
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_cell_length_c                   8.5080(10)
_cell_measurement_reflns_used    1927
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      3.4
_cell_volume                     1606.7(4)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
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_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
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_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .047
_diffrn_reflns_av_sigmaI/netI    .103
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_max         29.32
_diffrn_reflns_theta_min         1.64
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.738
_exptl_absorpt_correction_T_max  .894
_exptl_absorpt_correction_T_min  .738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            dark_blue
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_exptl_crystal_description       prism
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_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .06
_refine_diff_density_max         .574
_refine_diff_density_min         -.542
_refine_ls_goodness_of_fit_all   .941
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           .042
_refine_ls_shift/su_max          .011
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .045
_refine_ls_wR_factor_ref         .041
_reflns_d_resolution_high        .726
_reflns_d_resolution_low         12.411
_reflns_Friedel_coverage         0
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              34
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              -11
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_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b008452m.txt
_cod_data_source_block           17yk
_cod_original_sg_symbol_Hall     p_2yb
_cod_original_sg_symbol_H-M      P_1_21_1
_cod_original_formula_sum        'C8 H22 Cl2 Cu1 N4 O8'
_cod_database_code               7010395