Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.
Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 13133–13140; doi:10.1039/c5dt01799h

data_7035488
_publ_section_title
;
 Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]:
 synthesis, characterization and \e-caprolactone ROP capability.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13133
_journal_page_last               13140
_journal_paper_doi               10.1039/c5dt01799h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C63 H72 Cl3 Mo4 N11 O6 Si, 2(C2 H3 N)'
_chemical_formula_sum            'C67 H78 Cl3 Mo4 N13 O6 Si'
_chemical_formula_weight         1679.62
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
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_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-04-22 deposited with the CCDC.
2015-06-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.0667(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   25.9749(8)
_cell_length_c                   24.2388(8)
_cell_measurement_reflns_used    32505
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.83
_cell_measurement_theta_min      2.26
_cell_volume                     7895.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_laue_measured_fraction_full 0.999
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_diffrn_reflns_number            68759
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'Fine-focus sealed tube'
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_exptl_crystal_colour            'dark red/purple'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3408
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'Re-crystallisation from solvent: acetonitrile'
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_refine_ls_number_restraints     318
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0453
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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^)+(0.0382P)^2^+26.0973P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1271
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14618
_reflns_number_total             18926
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7035487--7035489.cif.'
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_shelx_estimated_absorpt_t_min   0.574
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