[Mnii2(bpym)(H2O)8]4+ and [Miv(CN)8]4‒ (M = Mo and W) as building blocks in designing bpym- and cyanide-bridged bimetallic three-dimensional networks (bpym = 2,2'-bipyrimidine)Electronic supplementary information (ESI) available: χMT vs. T for 2. See http://www.rsc.org/suppdata/nj/b2/b206124b/
Herrera, Juan Manuel; Armentano, Donatella; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Verdaguer, Michel; New Journal of Chemistry 27 (2003) 128–; doi:10.1039/b206124b

data_7050403
_publ_section_title
;
 [Mnii2(bpym)(H2O)8]4+ and [Miv(CN)8]4-- (M&#x2009;=&#x2009;Mo and W)
 as building blocks in designing bpym- and cyanide-bridged bimetallic
 three-dimensional networks
 (bpym&#x2009;=&#x2009;2,2'-bipyrimidine)Electronic supplementary
 information (ESI) available: \cMT vs. T for 2. See
 http://www.rsc.org/suppdata/nj/b2/b206124b/
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              128
_journal_paper_doi               10.1039/b206124b
_journal_volume                  27
_journal_year                    2003
_chemical_formula_sum            'C16 H10 Mn2 Mo N12 O2'
_chemical_formula_weight         608.18
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.539(3)
_cell_length_b                   12.620(2)
_cell_length_c                   12.114(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2162.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2019
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    1.763
_exptl_absorpt_correction_T_max  0.736
_exptl_absorpt_correction_T_min  0.574
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         1918
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0326
_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^)+(0.0625P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                1630
_reflns_number_total             1918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206124b.txt
_cod_data_source_block           (1)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7050403