Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and μSR studies.
Geisheimer, Andrew R.; Huang, Wen; Pacradouni, Vighen; Sabok-Sayr, Seyed Ahmad; Sonier, Jeff E.; Leznoff, Daniel B.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 7505–7516; doi:10.1039/c0dt01546f

data_7015978
_publ_section_title
;
 Magnetic properties of isostructural M(H(2)O)(4)[Au(CN)(4)](2)-based
 coordination polymers (M = Mn, Co, Ni, Cu, Zn) by SQUID and \mSR
 studies.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7505
_journal_page_last               7516
_journal_paper_doi               10.1039/c0dt01546f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C8 H16 Au2 Mn1 N8 O8'
_chemical_formula_sum            'C8 H16 Au2 Mn N8 O8'
_chemical_formula_weight         801.13
_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
_cell_angle_alpha                93.0570(10)
_cell_angle_beta                 104.628(2)
_cell_angle_gamma                99.897(2)
_cell_formula_units_Z            1
_cell_length_a                   6.6823(2)
_cell_length_b                   8.5837(3)
_cell_length_c                   10.1917(3)
_cell_measurement_reflns_used    28266
_cell_measurement_temperature    293
_cell_measurement_theta_max      40.598
_cell_measurement_theta_min      2.076
_cell_volume                     554.34(3)
_computing_cell_refinement
;
Bruker SMART
;
_computing_data_collection
;
Bruker SMART
;
_computing_data_reduction
;
Bruker SAINT
;
_computing_structure_refinement
;
Crystals
;
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area Detector'
_diffrn_measurement_method       \w\f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28266
_diffrn_reflns_theta_full        29.637
_diffrn_reflns_theta_max         40.598
_diffrn_reflns_theta_min         2.076
_exptl_absorpt_coefficient_mu    13.807
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4448
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.400
_exptl_crystal_description       chunk
_exptl_crystal_F_000             367
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.18
_refine_diff_density_min         -1.35
_refine_ls_extinction_coef       17.1(11)
_refine_ls_extinction_method     'Larson (1970), Equation 22'
_refine_ls_goodness_of_fit_ref   0.9637
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         4023
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.000170
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method= Modified Sheldrick
w=1/[\s^2^(F^2^) + ( 0.02P)^2^ + 0.00P]
,where P=p(6)*max(Fo^2^,0) + (1-p(6))Fc^2^
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0502
_refine_ls_wR_factor_gt          0.0337
_refine_ls_wR_factor_ref         0.0328
_reflns_limit_h_max              11
_reflns_limit_h_min              -12
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                4219
_reflns_number_total             6922
_reflns_threshold_expression     I>2.5\s(I
_cod_data_source_file            c0dt01546f.txt
_cod_data_source_block           {[Mn(H2O)4][Au(CN)4]2(H2O)4}
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C8 H16 Au2 Mn1 N8 O8'
_cod_database_code               7015978