Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes
Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin; RSC Adv. 7 (2017) 29752–; doi:10.1039/C7RA04524G

data_7228442
_publ_section_title
;
 Synthesis, structure and reactivity of guanidinate rare earth metal
 bis(o-aminobenzyl) complexes
;
_journal_issue                   47
_journal_name_full               'RSC Adv.'
_journal_page_first              29752
_journal_paper_doi               10.1039/C7RA04524G
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C59 H72 Lu N5 O4'
_chemical_formula_weight         1090.18
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-04 deposited with the CCDC.
2017-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                103.838(2)
_cell_angle_beta                 104.826(2)
_cell_angle_gamma                112.459(2)
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_cell_length_b                   16.0451(16)
_cell_length_c                   16.917(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.53
_cell_volume                     2922.6(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
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_diffrn_reflns_Laue_measured_fraction_full 0.982
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_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17493
_diffrn_reflns_point_group_measured_fraction_full 0.982
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_exptl_crystal_colour            colourless
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.228
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0748P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_70220ba
_cod_original_cell_volume        2922.6(6)
_cod_database_code               7228442
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              24302