A two-dimensional organic‒inorganic hybrid compound, poly[(ethylenediamine)tri-μ-oxido-oxidocopper(II)molybdenum(VI)]
Gun, Ozgul; VanDerveer, Don; Emirdag-Eanes, Mehtap; Acta Crystallographica Section E 64 (2008) m1238–m1239; doi:10.1107/S160053680802792X

data_2219729
_publ_section_title
;
 A two-dimensional organic--inorganic hybrid compound,
 poly[(ethylenediamine)tri-\m-oxido-oxidocopper(II)molybdenum(VI)]
;
_journal_coeditor_code           WM2192
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1238
_journal_page_last               m1239
_journal_paper_doi               10.1107/S160053680802792X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu Mo O4 (C2 H8 N2)]'
_chemical_formula_moiety         'C2 H8 Cu Mo N2 O4'
_chemical_formula_sum            'C2 H8 Cu Mo N2 O4'
_chemical_formula_weight         283.58
_chemical_name_systematic
;
poly[(ethylenediamine)tri-\m-oxido-oxidocopper(II)molybdenum(VI)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 107.734(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.954(4)
_cell_length_b                   9.436(4)
_cell_length_c                   7.674(3)
_cell_measurement_reflns_used    4208
_cell_measurement_temperature    303(2)
_cell_measurement_theta_max      26.0212
_cell_measurement_theta_min      2.1573
_cell_volume                     686.5(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2001)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      303(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Rigaku Mercury CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0890
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            5616
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.881
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.916
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1209
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0627
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0154P)^2^+14.9224P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                1098
_reflns_number_total             1209
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2192.cif
_cod_data_source_block           I
_cod_original_cell_volume        686.6(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219729
_cod_database_fobs_code          2219729