Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid
Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo; CrystEngComm 10 (2008) 1395–; doi:10.1039/b806360e

data_7202184
_publ_section_title
;
 Hydrothermal syntheses, structures and luminescent properties of d10
 metal--organic frameworks based on rigid
 3,3&#x2032;,5,5&#x2032;-azobenzenetetracarboxylic acid
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1395
_journal_paper_doi               10.1039/b806360e
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C28 H18 Cd2 N10 O8'
_chemical_formula_sum            'C28 H18 Cd2 N10 O8'
_chemical_formula_weight         847.32
_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                83.7380(10)
_cell_angle_beta                 83.711(3)
_cell_angle_gamma                80.314(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8622(3)
_cell_length_b                   10.0043(2)
_cell_length_c                   14.8619(4)
_cell_measurement_reflns_used    3129
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.88
_cell_measurement_theta_min      2.42
_cell_volume                     1430.58(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16364
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_T_max  0.828
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5603
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                4115
_reflns_number_total             5603
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806360e.txt
_cod_data_source_block           compound1
_cod_database_code               7202184