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_7226682
_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            'C60 H66 N9 O13 Sm'
_chemical_formula_weight         1271.56
_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_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-04-23 deposited with the CCDC.
2016-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                97.375(2)
_cell_angle_beta                 103.260(2)
_cell_angle_gamma                105.382(2)
_cell_formula_units_Z            2
_cell_length_a                   12.4150(18)
_cell_length_b                   15.719(2)
_cell_length_c                   16.661(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2988.7(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.1191
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15826
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         1.282
_exptl_absorpt_coefficient_mu    1.053
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_description       block
_exptl_crystal_F_000             1310
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.842
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     778
_refine_ls_number_reflns         10670
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.1195
_refine_ls_R_factor_gt           0.0709
_refine_ls_shift/su_max          0.071
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0853P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.1923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6278
_reflns_number_total             10670
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra20957b2.cif
_cod_data_source_block           c
_cod_original_cell_volume        2988.8(7)
_cod_database_code               7226682
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              28219