Solid state coordination chemistry: construction of 2D networks and 3D frameworks from phosphomolybdate clusters and binuclear Cu(ii) complexes. The syntheses and structures of [{Cu2(tpypyz)(H2O)2}(Mo5 O15)(HOPO3)2]·nH 2O [n = 2, 3; tpypyz = tetra(2-pyridyl)pyrazine]
Burkholder, Eric; Zubieta, Jon; Chemical Communications  (2001) 2056–; doi:10.1039/b105563c

data_7114851
_publ_section_title
;
 Solid state coordination chemistry: construction of 2D networks and 3D
 frameworks from phosphomolybdate clusters and binuclear Cu(ii) complexes.
 The syntheses and structures of [{Cu2(tpypyz)(H2O)2}(Mo5
 O15)(HOPO3)2]&#x00B7;nH 2O [n = 2, 3; tpypyz = tetra(2-pyridyl)pyrazine]
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2056
_journal_paper_doi               10.1039/b105563c
_journal_year                    2001
_chemical_formula_sum            'C24 H26 Cu2 Mo5 N6 O27 P2'
_chemical_formula_weight         1499.23
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_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                85.178(1)
_cell_angle_beta                 79.964(1)
_cell_angle_gamma                68.271(1)
_cell_formula_units_Z            2
_cell_length_a                   11.0736(5)
_cell_length_b                   11.0775(5)
_cell_length_c                   17.7972(8)
_cell_measurement_temperature    90(2)
_cell_volume                     1996.53(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9465
_diffrn_reflns_theta_full        23.28
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    2.752
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    2.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1452
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     629
_refine_ls_number_reflns         5720
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          2.761
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0431P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0687
_reflns_number_gt                5075
_reflns_number_total             5720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b105563c.txt
_cod_data_source_block           compound_1
_cod_original_cell_volume        1996.5(2)
_cod_database_code               7114851