The 3,4-connected layered hybrid oxide poly[tetrakis(μ-2,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(μ~4~-β-octamolybdato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')tetracopper(I)]
Ochalek, Catherine E.; LaDuca, Robert L.; Acta Crystallographica Section E 63 (2007) m621–m624; doi:10.1107/S1600536807003583

data_2212319
_publ_section_title
;The 3,4-connected layered hybrid oxide
 poly[tetrakis(\m-2,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')(\m~4~-\b-octamolybdato-\k^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')tetracopper(I)]
;
_journal_coeditor_code           NG2210
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m621
_journal_page_last               m624
_journal_paper_doi               10.1107/S1600536807003583
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu4 Mo8 O26 (C10 H8 N2)4]'
_chemical_formula_moiety         'C40 H32 Cu4 Mo8 N8 O26'
_chemical_formula_sum            'C40 H32 Cu4 Mo8 N8 O26'
_chemical_formula_weight         2062.46
_chemical_name_systematic
;
poly[tetrakis(\m-2,4'-bipyridine-\k^2^N:N')(\m~4~-\b-octamolybdato-
\k^4^-O:O':O'':O''')tetracopper(I)]
;
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                99.427(3)
_cell_angle_beta                 114.082(3)
_cell_angle_gamma                100.871(3)
_cell_formula_units_Z            1
_cell_length_a                   10.631(2)
_cell_length_b                   10.948(2)
_cell_length_c                   12.701(3)
_cell_measurement_reflns_used    15119
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      1.82
_cell_volume                     1276.7(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2005)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker SMART 1K'
_diffrn_measurement_method       \w
_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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15119
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.619
_exptl_absorpt_correction_T_max  0.560
_exptl_absorpt_correction_T_min  0.412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.609
_refine_diff_density_min         -0.864
_refine_ls_extinction_coef       0.00123(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.026P)^2^+2.0526P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0579
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                5371
_reflns_number_total             5945
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2210.cif
_cod_data_source_block           I
_cod_database_code               2212319
_cod_database_fobs_code          2212319