A three-dimensional zeolite-like organic‒inorganic hybrid material constructed from {CuMo2O8N}n double helical chains linked via [Cu(4,4′-bpy)]n fragmentsElectronic supplementary information (ESI) available: Fig. S1:χMT vs. T and χM vs. T plots for compound 1. See http://www.rsc.org/suppdata/cc/b1/b108704e/
Lu, Can-Zhong; Wu, Chuan-De; Lu, Shao-Fang; Liu, Jia-Cheng; Wu, Qiang-Jin; Zhuang, Hong-Hui; Huang, Jin-Shun; Chemical Communications  (2002) 152–; doi:10.1039/b108704e

data_7114093
_publ_section_title
;
 A three-dimensional zeolite-like organic--inorganic hybrid material
 constructed from {CuMo2O8N}n double helical chains linked via
 [Cu(4,4&#x2032;-bpy)]n fragmentsElectronic supplementary information
 (ESI) available: Fig. S1:\cMT vs. T and \cM vs. T plots for compound 1.
 See http://www.rsc.org/suppdata/cc/b1/b108704e/
;
_journal_issue                   2
_journal_name_full               'Chemical Communications'
_journal_page_first              152
_journal_paper_doi               10.1039/b108704e
_journal_year                    2002
_chemical_formula_sum            'C10 H14 Cu2 Mo2 N2 O11'
_chemical_formula_weight         657.19
_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                71.992(2)
_cell_angle_beta                 89.745(2)
_cell_angle_gamma                73.640(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4488(2)
_cell_length_b                   9.2576(1)
_cell_length_c                   13.9332(4)
_cell_measurement_reflns_used    2182
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      1.54
_cell_volume                     873.14(4)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0988
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4567
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.867
_exptl_absorpt_correction_T_max  0.8913
_exptl_absorpt_correction_T_min  0.5340
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    2.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.081
_refine_diff_density_min         -1.321
_refine_diff_density_rms         0.239
_refine_ls_extinction_coef       0.0004(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         3052
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_gt           0.0555
_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^)+(0.0610P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1328
_reflns_number_gt                2137
_reflns_number_total             3052
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108704e.txt
_cod_data_source_block           B108704E
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114093
_refine_ls_r_factor_ref          0.0922