Solvothermal Synthesis, Structure, and Fluorescence Property of Three d10 Polymers Assembled From Semi-rigid V-shaped Azo-Bridged Multicarboxylate
Tan, Yu-hui; Xiong, Jian-Bo; Gao, Ji-Xing; Xu, Qing; Fu, Chao-Wu; Tang, Yun Zhi; Yang, Shao-Ping; Wen, He-Rui; Shu, Qing; RSC Adv.  (2015) –; doi:10.1039/C5RA02417J

data_7219956
_publ_section_title
;
 Solvothermal Synthesis, Structure, and Fluorescence Property of Three d10
 Polymers Assembled From Semi-rigid V-shaped Azo-Bridged Multicarboxylate
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA02417J
_journal_year                    2015
_chemical_formula_sum            'C43 H34 Cd2 N5 O10'
_chemical_formula_weight         1005.55
_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
;
2015-02-06 deposited with the CCDC.
2015-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                78.118(3)
_cell_angle_beta                 84.743(3)
_cell_angle_gamma                72.358(4)
_cell_formula_units_Z            2
_cell_length_a                   9.2272(3)
_cell_length_b                   10.9734(4)
_cell_length_c                   20.8598(6)
_cell_measurement_reflns_used    6902
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.49
_cell_volume                     1968.70(12)
_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_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13328
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_T_max  0.8377
_exptl_absorpt_correction_T_min  0.7394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_meas      1.7
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       good
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.610
_refine_diff_density_min         -1.032
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         6902
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0404P)^2^+5.2745P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                5402
_reflns_number_total             6902
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra02417j2.cif
_cod_data_source_block           xiong2
_cod_original_cell_volume        1968.70(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7219956