Guanidinium tetraoxidorhenate(VII)
Grigoriev, Mikhail S.; German, Konstantin E.; Maruk, Alesia Ya.; Acta Crystallographica Section E 63 (2007) m2061–m2061; doi:10.1107/S1600536807031881

data_2214813
_publ_section_title
;
 Guanidinium tetraoxidorhenate(VII)
;
_journal_coeditor_code           NG2292
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2061
_journal_page_last               m2061
_journal_paper_doi               10.1107/S1600536807031881
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C H6 N3) [Re O4]'
_chemical_formula_moiety         'C H6 N3 +, Re O4 -'
_chemical_formula_sum            'C H6 N3 O4 Re'
_chemical_formula_weight         310.29
_chemical_name_systematic
;
Guanidinium tetraoxidorhenate(VII) [C(NH~2~)~3~][ReO~4~]
;
_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_creation_method           SHELXL-97
_cell_angle_alpha                75.314(4)
_cell_angle_beta                 88.707(5)
_cell_angle_gamma                80.985(5)
_cell_formula_units_Z            2
_cell_length_a                   4.9657(4)
_cell_length_b                   7.7187(7)
_cell_length_c                   8.4423(7)
_cell_measurement_reflns_used    8692
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.00
_cell_measurement_theta_min      2.76
_cell_volume                     309.09(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'APEX2 (Bruker, 0000)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL97 (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
;
Bruker KappaAPEXII area-detector
;
_diffrn_measurement_method       '\w and \f'
_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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11709
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         2.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    19.608
_exptl_absorpt_correction_T_max  0.3458
_exptl_absorpt_correction_T_min  0.1918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             280
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.593
_refine_diff_density_min         -2.902
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     82
_refine_ls_number_reflns         2698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0206
_refine_ls_R_factor_gt           0.0175
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0177P)^2^+0.58P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0391
_refine_ls_wR_factor_ref         0.0400
_reflns_number_gt                2506
_reflns_number_total             2698
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng2292.cif
_cod_data_source_block           I
_cod_database_code               2214813
_cod_database_fobs_code          2214813