Two samarium(III) complexes with tunable fluorescence from in situ reactions of 2-ethoxy-6-((pyridin-2-ylmethylimino)methyl)phenol with Sm3+ion
Qin, Wei; Zheng, Zhi-Peng; Feng, Hai-Xin; Hong, Xu-Jia; Huang, Xia; Peng, Hai-Jun; Cai, Yue-Peng; RSC Adv.  (2016) –; doi:10.1039/C6RA20957B

data_7226683
_publ_section_title
;
 Two samarium(III) complexes with tunable fluorescence from in situ
 reactions of 2-ethoxy-6-((pyridin-2-ylmethylimino)methyl)phenol with
 Sm3+ion
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA20957B
_journal_year                    2016
_chemical_formula_sum            'C50 H64 N10 O14 Sm2'
_chemical_formula_weight         1329.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2015-04-23 deposited with the CCDC.
2016-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                79.820(6)
_cell_angle_beta                 81.137(6)
_cell_angle_gamma                65.029(6)
_cell_formula_units_Z            1
_cell_length_a                   10.675(4)
_cell_length_b                   11.181(4)
_cell_length_c                   13.204(4)
_cell_measurement_temperature    298.(2)
_cell_volume                     1400.6(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298.(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0682
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7292
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    2.147
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_process_details
;
;
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             670
_refine_diff_density_max         1.163
_refine_diff_density_min         -0.744
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         5024
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+0.2017P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                3890
_reflns_number_total             5024
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra20957b2.cif
_cod_data_source_block           I
_cod_database_code               7226683
_shelx_res_checksum              27390