A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds
Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun; CrystEngComm 13 (2011) 6680–; doi:10.1039/c1ce05649b

data_7206691
_publ_section_title
;
 A series of organopolymolybdate polymers linked by dual fuses:
 metal--organic moiety and organic ligand through Mo--N bonds
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              6680
_journal_paper_doi               10.1039/c1ce05649b
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C16 H28 Cu Mo4 N12 O15'
_chemical_formula_weight         1075.78
_chemical_name_systematic
;
?
;
_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                72.1200(10)
_cell_angle_beta                 68.4780(10)
_cell_angle_gamma                87.3250(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6009(10)
_cell_length_b                   12.2124(12)
_cell_length_c                   13.7623(14)
_cell_measurement_temperature    296(2)
_cell_volume                     1573.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.875
_diffrn_measured_fraction_theta_max 0.875
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0485
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9169
_diffrn_reflns_theta_full        28.21
_diffrn_reflns_theta_max         28.21
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    2.302
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_correction_T_min  0.614
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1042
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.881
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    refo
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         6770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0377
_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^)+(0.0477P)^2^+0.5300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0942
_reflns_number_gt                5190
_reflns_number_total             7734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05649b.txt
_cod_data_source_block           compound-2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206691