Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.
Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18101–18110; doi:10.1039/c5dt02936h

data_7036532
_publ_section_title
;
 Rare-earth metal methylidene complexes with Ln3(\m3-CH2)(\m3-Me)(\m2-Me)3
 core structure.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18101
_journal_page_last               18110
_journal_paper_doi               10.1039/c5dt02936h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C61 H114 N3 Nd3 O4 Si3'
_chemical_formula_weight         1470.54
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-09-10 deposited with the CCDC.
2015-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.960(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.59
_cell_measurement_theta_min      2.64
_cell_volume                     6978.9(2)
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'PHI scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_unetI/netI     0.0316
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_diffrn_reflns_limit_h_max       18
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_max 0.993
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_diffrn_reflns_theta_max         26.760
_diffrn_reflns_theta_min         2.842
_diffrn_source                   'fine focus sealed tube'
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_exptl_absorpt_correction_T_max  0.8388
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_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   Palton/Mulabs
_exptl_crystal_colour            colourless
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.314
_refine_ls_R_factor_all          0.0654
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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^)+(0.0261P)^2^+11.7977P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                13514
_reflns_number_total             14765
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02936h2.cif
_cod_data_source_block           mulds13-2
_cod_depositor_comments
'Adding full bibliography for 7036525--7036534.cif.'
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