0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines
Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min; CrystEngComm 12 (2010) 2122–; doi:10.1039/b914655e

data_7211791
_publ_section_title
;
 0D and 1D dimensional structures based on the combination of
 polyoxometalates, transition metal coordination complexes and organic
 amines
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2122
_journal_paper_doi               10.1039/b914655e
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C29 H33 Co Mo8 N5 O46 P V6'
_chemical_formula_weight         2350.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 117.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.189(5)
_cell_length_b                   12.933(3)
_cell_length_c                   25.434(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7089(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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            29489
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    2.458
_exptl_absorpt_correction_T_max  0.2475
_exptl_absorpt_correction_T_min  0.2137
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4504
_exptl_crystal_size_max          0.91
_exptl_crystal_size_mid          0.84
_exptl_crystal_size_min          0.79
_refine_diff_density_max         2.622
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         6977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1145P)^2^+115.0177P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1925
_refine_ls_wR_factor_ref         0.2036
_reflns_number_gt                5820
_reflns_number_total             6977
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914655e.txt
_cod_data_source_block           k-4
_cod_original_cell_volume        7089(2)
_cod_original_sg_symbol_H-M      c2/c
_cod_database_code               7211791