Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties
Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun; CrystEngComm 15 (2013) 7732–; doi:10.1039/c3ce41060a

data_7210996
_publ_section_title
;
 Lanthanide coordination polymers with hexa-carboxylate ligands derived
 from cyclotriphosphazene as bridging linkers: synthesis, thermal and
 luminescent properties
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              7732
_journal_paper_doi               10.1039/c3ce41060a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C46 H54 Eu2 N5 O26 P3'
_chemical_formula_weight         1489.79
_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                106.807(5)
_cell_angle_beta                 103.456(6)
_cell_angle_gamma                105.134(6)
_cell_formula_units_Z            2
_cell_length_a                   12.2391(9)
_cell_length_b                   16.2140(9)
_cell_length_c                   18.1327(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3134.8(4)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    DIAMOND
_computing_publication_material  PUBLCIF
_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  'Brucker SMART APEX'
_diffrn_measurement_method       '\w scan'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1464
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12301
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    2.139
_exptl_absorpt_correction_T_max  0.8145
_exptl_absorpt_correction_T_min  0.8145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         6.096
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         12301
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1184
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1135P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1950
_refine_ls_wR_factor_ref         0.2274
_reflns_number_gt                8037
_reflns_number_total             12301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41060a.txt
_cod_data_source_block           compound1
_cod_original_cell_volume        3134.8(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210996