Diammonium bis[(2-aminoacetato-κ^2^<i>N</i>,<i>O</i>)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] hexacosaoxidooctamolybdate(VI)
Haiyan Liu; Yunjie Zhang; Decheng Yu; Acta Crystallographica Section E 64 (2008) m305–m306; doi:10.1107/S1600536808000020

data_2217559
_publ_section_title
;Diammonium
 bis[(2-aminoacetato-\k^2^<i>N</i>,<i>O</i>)(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)copper(II)]
 hexacosaoxidooctamolybdate(VI)
;
_journal_coeditor_code           HY2114
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m305
_journal_page_last               m306
_journal_paper_doi               10.1107/S1600536808000020
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'(N H4)2 [Cu (C2 H4 N O2) (C10 H8 N2) (C3 H7 N O)]2 [Mo8 O26]'
_chemical_formula_moiety         'C30 H46 Cu2 Mo8 N10 O32'
_chemical_formula_sum            'C30 H46 Cu2 Mo8 N10 O32'
_chemical_formula_weight         1953.38
_chemical_name_systematic
;
Diammonium bis[(2-aminoacetato-\k^2^N,O)(2,2'-bipyridine-\k^2^N,N')(N,N-
dimethylformamide-\kO)copper(II)] hexacosaoxidooctamolybdate(VI)
;
_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           SHELXL-97
_cell_angle_alpha                81.82(3)
_cell_angle_beta                 69.91(2)
_cell_angle_gamma                81.61(3)
_cell_formula_units_Z            1
_cell_length_a                   10.222(2)
_cell_length_b                   10.849(2)
_cell_length_c                   13.020(3)
_cell_measurement_reflns_used    3544
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.30
_cell_measurement_theta_min      1.60
_cell_volume                     1334.9(5)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Bruker, 1997'
_computing_structure_refinement  'SHELXTL (Bruker, 1997'
_computing_structure_solution    'SHELXTL (Bruker, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       '\f and \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  0.0705
_diffrn_reflns_av_sigmaI/netI    0.0940
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10864
_diffrn_reflns_theta_full        25.55
_diffrn_reflns_theta_max         25.55
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    2.695
_exptl_absorpt_correction_T_max  0.690
_exptl_absorpt_correction_T_min  0.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             946
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.863
_refine_diff_density_min         -0.826
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4889
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0458
_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^)+(0.0226P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.1102
_reflns_number_gt                3591
_reflns_number_total             4889
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2114.cif
_cod_data_source_block           I
_cod_database_code               2217559
_cod_database_fobs_code          2217559