ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates with aliphatic diamines. Structural and proton transfer properties
Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú; New Journal of Chemistry 30 (2006) 1650–; doi:10.1039/b606797b

data_7052344
_publ_section_title
;
 ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates
 with aliphatic diamines. Structural and proton transfer properties
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1650
_journal_paper_doi               10.1039/b606797b
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C12 H33 Cl2 N4 O10 Re'
_chemical_formula_weight         650.6
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.513(5)
_cell_length_b                   15.322(5)
_cell_length_c                   16.926(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2207.8(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.839
_diffrn_measured_fraction_theta_max 0.839
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8468
_diffrn_reflns_theta_full        25.85
_diffrn_reflns_theta_max         25.85
_diffrn_reflns_theta_min         4.31
_exptl_absorpt_coefficient_mu    5.801
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1296
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         1789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+19.8789P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                1192
_reflns_number_total             1789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b606797b.txt
_cod_data_source_block           redeten
_cod_database_code               7052344