[Re2(µ-1,2,4-triazolate)2(µ-OH)(CO)6]−: a novel metalloligand for the construction of flexible porous coordination networks
Barea, Elisa; Rodríguez-Diéguez, Antonio; Navarro, Jorge A. R.; D′Alfonso, Giuseppe; Sironi, Angelo; Dalton Transactions  (2008) 1825–1827; doi:10.1039/b800591e

data_7003853
_publ_section_title
;
 [Re2(&#x00B5;-1,2,4-triazolate)2(&#x00B5;-OH)(CO)6]&#x2212;: a novel
 metalloligand for the construction of flexible porous coordination
 networks
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              1825
_journal_page_last               1827
_journal_paper_doi               10.1039/b800591e
_journal_year                    2008
_chemical_formula_sum            'C14 H17 Ag N6 O11 Re2'
_chemical_formula_weight         925.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.18(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0741(18)
_cell_length_b                   15.264(3)
_cell_length_c                   17.667(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2415.7(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0831
_diffrn_reflns_av_sigmaI/netI    0.0434
_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       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22911
_diffrn_reflns_theta_full        22.07
_diffrn_reflns_theta_max         22.07
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    10.864
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.218
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.058
_refine_diff_density_min         -2.383
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         2957
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0525P)^2^+34.1557P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                2551
_reflns_number_total             2957
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b800591e.txt
_cod_data_source_block
'[Ag{Re2(mu3-trz-kN1:kN2:kN4)2(mu3-OH)(CO)6}]n.4nCH3OH'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Empirical' changed to 'empirical'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2415.6(8)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7003853