Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.
Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14302–14314; doi:10.1039/c4dt01097c

data_7030845
_publ_section_title
;
 Catalytic bond forming reactions promoted by amidinate, guanidinate and
 phosphaguanidinate compounds of magnesium.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14302
_journal_page_last               14314
_journal_paper_doi               10.1039/c4dt01097c
_journal_volume                  43
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H108 Br2 Mg2 N4 O2 P2'
_chemical_formula_sum            'C58 H108 Br2 Mg2 N4 O2 P2'
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_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_c                   16.5610(19)
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      0.998
_cell_measurement_wavelength     0.71073
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_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
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'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
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_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
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_diffrn_orient_matrix_UB_21      -0.398586E-1
_diffrn_orient_matrix_UB_22      0.103989E-1
_diffrn_orient_matrix_UB_23      0.605051E-1
_diffrn_orient_matrix_UB_31      0.475653E-1
_diffrn_orient_matrix_UB_32      0.644344E-1
_diffrn_orient_matrix_UB_33      0.47247E-2
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    1.364
_exptl_absorpt_correction_T_max  0.784
_exptl_absorpt_correction_T_min  0.7013
_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    1.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.06
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6791
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0537P)^2^+0.6564P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                4905
_reflns_number_total             6791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01097c2.cif
_cod_data_source_block           compound7-bmd_cy2p_mg
_cod_depositor_comments
'Adding full bibliography for 7030844--7030850.cif.'
_cod_original_cell_volume        1615.5(3)
_cod_database_code               7030845