Group 4 metal compounds incorporating the amide ligand, [N(SiMe2{C6H4-2-OMe})2](.).
Evans, Lloyd T. J.; Farnaby, Joy H.; Coles, Martyn P.; Cloke, F Geoffrey N; Hitchcock, Peter B.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 8950–8958; doi:10.1039/c5dt00684h

data_7034738
_publ_section_title
;
 Group 4 metal compounds incorporating the amide ligand,
 [N(SiMe2{C6H4-2-OMe})2](.).
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8950
_journal_page_last               8958
_journal_paper_doi               10.1039/c5dt00684h
_journal_volume                  44
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '3(C36 H52 Cl2 N2 O4 Si4 Zr), 11(C7 H8)'
_chemical_formula_sum            'C185 H244 Cl6 N6 O12 Si12 Zr3'
_chemical_formula_weight         3567.3
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2006-03-17T11:20:17-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-01-19 deposited with the CCDC.
2015-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   33.2755(2)
_cell_length_b                   20.1404(1)
_cell_length_c                   28.4984(2)
_cell_measurement_reflns_used    696931
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     18928.2(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.13698E-2
_diffrn_orient_matrix_UB_12      -0.236093E-1
_diffrn_orient_matrix_UB_13      -0.265683E-1
_diffrn_orient_matrix_UB_21      -0.40458E-2
_diffrn_orient_matrix_UB_22      -0.432786E-1
_diffrn_orient_matrix_UB_23      0.138614E-1
_diffrn_orient_matrix_UB_31      -0.351476E-1
_diffrn_orient_matrix_UB_32      0.59018E-2
_diffrn_orient_matrix_UB_33      -0.46356E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            181555
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         3.42
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.38
_exptl_absorpt_correction_T_max  0.9194
_exptl_absorpt_correction_T_min  0.8299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7528
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.471
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1824
_refine_ls_number_reflns         36595
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0784
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0558P)^2^+92.9558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2077
_refine_ls_wR_factor_ref         0.2177
_reflns_number_gt                30383
_reflns_number_total             36595
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00684h2.cif
_cod_data_source_block           (5)-mar1506
_cod_depositor_comments
'Adding full bibliography for 7034734--7034738.cif.'
_cod_database_code               7034738