Solvent-Mediated Crystal-to-Crystal Interconversion between Discrete Lanthanide Complexes and One-Dimensional Coordination Polymers and Selective Sensing for Small Molecules
Jin-Ji Wu; Yu-Xin Ye; Ying-Yu Qiu; Zheng-Ping Qiao; Man-Li Cao; Bao-Hui Ye; Inorganic Chemistry 52 (2013) 6450–6456; doi:10.1021/ic400340y

data_4335039
_publ_section_title
;
 Solvent-Mediated Crystal-to-Crystal Interconversion between Discrete
 Lanthanide Complexes and One-Dimensional Coordination Polymers and
 Selective Sensing for Small Molecules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6450
_journal_page_last               6456
_journal_paper_doi               10.1021/ic400340y
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C17 H22 Eu N5 O9'
_chemical_formula_weight         592.36
_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                81.7780(10)
_cell_angle_beta                 85.1860(10)
_cell_angle_gamma                87.5320(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4942(5)
_cell_length_b                   9.8122(6)
_cell_length_c                   12.9285(8)
_cell_measurement_reflns_used    3622
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.60
_cell_volume                     1062.18(11)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7461
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        negligible
_exptl_absorpt_coefficient_mu    3.013
_exptl_absorpt_correction_T_max  0.8399
_exptl_absorpt_correction_T_min  0.7946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3622
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+1.2385P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0579
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                3434
_reflns_number_total             3622
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400340y_si_001.cif
_cod_data_source_block           2
_cod_database_code               4335039