Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n.
Gryca, I.; Palion-Gazda, J; Machura, B.; Penkala, M.; Kruszyński, R; Cano, J.; Lloret, F.; Julve, M.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17118–17128; doi:10.1039/c5dt02522b

data_7036336
_publ_section_title
;
 Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and
 [Cu(bpzm)2(\m-Cl)ReCl3(\m-ox)Cu(bpzm)2(\m-ox)ReCl3(\m-Cl)]n.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17118
_journal_page_last               17128
_journal_paper_doi               10.1039/c5dt02522b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C18 H16 Cl8 Cu N8 O8 Re2, C14 H16 Cu N8'
_chemical_formula_sum            'C32 H32 Cl8 Cu2 N16 O8 Re2'
_chemical_formula_weight         1551.82
_chemical_name_systematic
; 
 ? 
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc14nns7
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-30 deposited with the CCDC.
2015-08-27 downloaded from the CCDC.
;
_cell_angle_alpha                86.077(4)
_cell_angle_beta                 85.878(5)
_cell_angle_gamma                80.447(6)
_cell_formula_units_Z            1
_cell_length_a                   7.3780(6)
_cell_length_b                   8.9895(5)
_cell_length_c                   18.1306(8)
_cell_measurement_reflns_used    3920
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7050
_cell_measurement_theta_min      3.6040
_cell_volume                     1180.81(13)
_computing_cell_refinement       'CrysAlis RED v. 1.163 (UNIL IC & KUMA 2000)'
_computing_data_collection       'CrysAlis CCD v. 1.163 (UNIL IC & KUMA 2000)'
_computing_data_reduction        'CrysAlis RED v. 1.163 (UNIL IC & KUMA 2000)'
_computing_molecular_graphics
;XP in SHELXTL/PC (Sheldrick, 1990b)
 ORTEP-3 W v. 1.062 (Farrugia 1997)
;
_computing_publication_material
;SHELXL-97 (Sheldrick, 1997) and
 PLATON (Spek, 1990)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1109
_diffrn_reflns_av_sigmaI/netI    0.1296
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10496
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.31
_exptl_absorpt_coefficient_mu    6.516
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66309
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrysAlis RED, (2005)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.12293
_exptl_crystal_size_mid          0.05229
_exptl_crystal_size_min          0.04554
_refine_diff_density_max         2.517
_refine_diff_density_min         -1.719
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4149
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1133
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0826P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1434
_refine_ls_wR_factor_ref         0.1576
_reflns_number_gt                2675
_reflns_number_total             4149
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02522b2.cif
_cod_data_source_block           ren408
_cod_depositor_comments
'Adding full bibliography for 7036335--7036336.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7036336