Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers
Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang; CrystEngComm 15 (2013) 8522–; doi:10.1039/c3ce41207e

data_7211079
_publ_section_title
;
 Structure control and crystal-to-crystal transformation for two series of
 lanthanide--organic coordination polymers
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              8522
_journal_paper_doi               10.1039/c3ce41207e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C28 H17 Dy O10'
_chemical_formula_weight         675.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.404(20)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.344(2)
_cell_length_b                   18.507(6)
_cell_length_c                   14.312(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3831
_cell_measurement_theta_min      2.5123
_cell_volume                     2467.7(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1766
_diffrn_reflns_av_sigmaI/netI    0.2853
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8751
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    3.089
_exptl_absorpt_correction_T_max  0.9408
_exptl_absorpt_correction_T_min  0.8864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.990
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         4342
_refine_ls_number_restraints     972
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.1954
_refine_ls_R_factor_gt           0.0905
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0777P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1753
_refine_ls_wR_factor_ref         0.2502
_reflns_number_gt                2044
_reflns_number_total             4342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41207e.txt
_cod_data_source_block           exp_1338
_cod_original_cell_volume        2467.8(10)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7211079