Metamagnetic behaviour in a new Cu(II)Re(IV) chain based on the hexachlororhenate(IV) anion
Jose Martinez-Lillo; John Kong; Wdeson P. Barros; Juan Faus; Miguel Julve; Euan K. Brechin; Chem.Commun. 50 (2014) 5840–; doi:10.1039/C4CC01564A

data_7113419
_publ_section_title
;
 Metamagnetic behaviour in a new Cu(II)Re(IV) chain based on the
 hexachlororhenate(IV) anion
;
_journal_name_full               Chem.Commun.
_journal_page_first              5840
_journal_paper_doi               10.1039/C4CC01564A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C14 H15 Cu N7, Cl6 Re, C2 H3 N'
_chemical_formula_sum            'C16 H18 Cl6 Cu N8 Re'
_chemical_formula_weight         784.82
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_creation_method           SHELXL-2014
_cell_angle_alpha                93.534(2)
_cell_angle_beta                 98.603(2)
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_cell_formula_units_Z            2
_cell_length_a                   9.8446(3)
_cell_length_b                   9.9026(3)
_cell_length_c                   14.1874(3)
_cell_measurement_temperature    120(2)
_cell_volume                     1240.78(7)
_computing_data_collection       'CrysAlisPro (Agilent Technologies, 2013)'
_computing_molecular_graphics    'DIAMOND 3.2d (Crystal Impact, 2000)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25717
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.074
_diffrn_reflns_theta_min         3.179
_exptl_absorpt_coefficient_mu    16.594
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            'pale blue'
_exptl_crystal_density_diffrn    2.101
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.047
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.875
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5147
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0298P)^2^+2.1103P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0588
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4861
_reflns_number_total             5147
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc01564a2.cif
_cod_data_source_block           Compound_1
_cod_original_cell_volume        1240.78(6)
_cod_database_code               7113419
_shelx_estimated_absorpt_t_min   0.507
_shelx_estimated_absorpt_t_max   0.639
_shelxl_version_number           2014-1
_shelx_res_checksum              73714
_shelx_hkl_checksum              35744