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_7114852
_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 H28 Cu2 Mo5 N6 O28 P2'
_chemical_formula_weight         1517.24
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           15
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.6690(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.3609(1)
_cell_length_b                   16.0705(1)
_cell_length_c                   13.4127(9)
_cell_measurement_temperature    90(2)
_cell_volume                     3861.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8980
_diffrn_reflns_theta_full        23.28
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    2.849
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    2.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2944
_refine_diff_density_max         2.231
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         2789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          2.665
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0543P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0981
_reflns_number_gt                2168
_reflns_number_total             2789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b105563c.txt
_cod_data_source_block           compound_2
_cod_original_cell_volume        3861.3(4)
_cod_database_code               7114852