Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals.
Masuda, Jason D.; Boeré, René T; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2102–2115; doi:10.1039/c5dt03393d

data_7036752
_publ_section_title
;
 Metal carbonyl complexes of phosphaamidines. Coordinative integrity
 detected in C-amino(\l(3),\s(2))-phosphaalkene isomers coordinated
 through n(P) HOMO-1 donor orbitals.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2102
_journal_page_last               2115
_journal_paper_doi               10.1039/c5dt03393d
_journal_volume                  45
_journal_year                    2016
_chemical_compound_source        No.
_chemical_formula_moiety         'C32 H42 N O P'
_chemical_formula_sum            'C32 H42 N O P'
_chemical_formula_weight         487.63
_chemical_melting_point          406
_chemical_name_common
; 
 1,3-bis(2,6-diisopropylphenyl)-2-(4-methoxypphenyl)-3-aza-1\l3-phosphapropene 
;
_chemical_name_systematic
'(aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methoxy-benzenemethanamine chromium pentacarbonyl complex'
_chemical_properties_physical    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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-09-29 deposited with the CCDC.
2015-10-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.319(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   10.1898(5)
_cell_length_c                   18.1080(12)
_cell_measurement_reflns_used    5683
_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2
_cell_volume                     2982.2(4)
_computing_cell_refinement       'Stoe IPDS V2.63'
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_computing_structure_solution    'SIR97 (Giacovazzo et al., 1997)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       Phi-Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1008
_diffrn_reflns_av_unetI/netI     0.0845
_diffrn_reflns_Laue_measured_fraction_full 0.942
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_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
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_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30504
_diffrn_reflns_point_group_measured_fraction_full 0.942
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_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
; 
 STOE/XRED  (Stoe IPDS V2.63)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.086
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Methanol'
_exptl_crystal_size_max          0.430
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_refine_diff_density_max         0.181
_refine_diff_density_min         -0.130
_refine_diff_density_rms         0.031
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5133
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_refine_ls_restrained_S_all      0.859
_refine_ls_R_factor_all          0.1097
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0590P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1190
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2523
_reflns_number_total             5133
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt03393d2.cif
_cod_data_source_block           9b_MeOPAmH
_cod_depositor_comments
'Adding full bibliography for 7036752--7036756.cif.'
_cod_database_code               7036752
_shelx_estimated_absorpt_t_min   0.901
_shelx_estimated_absorpt_t_max   0.988
_shelxl_version_number           2014/6
_shelx_res_checksum              23723