Two novel POM-based inorganic-organic hybrid compounds: synthesis, structures, magnetic properties, photodegradation and selective absorption of organic dyes.
Dui, Xue-Jing; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiaofei; Liao, Jian-Zhen; Yu, Rongmin; Lu, Can-Zhong; Dalton transactions (Cambridge, England : 2003) 44 (2015) 9496–9505; doi:10.1039/c5dt01042j

data_7035044
_publ_section_title
;
 Two novel POM-based inorganic-organic hybrid compounds: synthesis,
 structures, magnetic properties, photodegradation and selective
 absorption of organic dyes.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9496
_journal_page_last               9505
_journal_paper_doi               10.1039/c5dt01042j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C12 H8 Cu Mo3 N4 O11'
_chemical_formula_sum            'C12 H8 Cu Mo3 N4 O11'
_chemical_formula_weight         735.58
_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
_audit_update_record
;
2015-04-09 deposited with the CCDC.
2015-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                109.205(6)
_cell_angle_beta                 93.720(4)
_cell_angle_gamma                109.834(5)
_cell_formula_units_Z            2
_cell_length_a                   8.2951(4)
_cell_length_b                   9.1416(6)
_cell_length_c                   13.2695(7)
_cell_measurement_reflns_used    3244
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      76.3771
_cell_measurement_theta_min      3.5960
_cell_volume                     876.05(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.3503
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7287
_diffrn_reflns_theta_full        76.56
_diffrn_reflns_theta_max         76.56
_diffrn_reflns_theta_min         3.60
_exptl_absorpt_coefficient_mu    19.266
_exptl_absorpt_correction_T_max  0.2489
_exptl_absorpt_correction_T_min  0.1602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platy
_exptl_crystal_F_000             702
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0449P)^2^+0.2709P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                3072
_reflns_number_total             3632
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt01042j2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7035043--7035044.cif.'
_cod_original_cell_volume        876.04(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035044
_diffrn_reflns_av_unetl/neti     0.0465