Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub> (E = C, Si, Ge, Sn).
Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego; Dalton transactions (Cambridge, England : 2003) 47 (2018) 4534–4544; doi:10.1039/c7dt04561a

data_7045672
_publ_section_title
;
 Synthesis and some coordination chemistry of the PSnP pincer-type
 stannylene
 Sn(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>,
 attempts to prepare the PSiP analogue, and the effect of the E atom on
 the molecular structures of
 E(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>
 (E = C, Si, Ge, Sn).
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4534
_journal_page_last               4544
_journal_paper_doi               10.1039/c7dt04561a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C24 H44 N2 P2 Sn, C7 H8'
_chemical_formula_sum            'C31 H52 N2 P2 Sn'
_chemical_formula_weight         633.37
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-11-29 deposited with the CCDC.
2018-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   11.83470(10)
_cell_length_c                   23.8529(3)
_cell_measurement_reflns_used    12877
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      69.6500
_cell_measurement_theta_min      3.7030
_cell_volume                     6637.42(13)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2016)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20205
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        70.000
_diffrn_reflns_theta_max         69.817
_diffrn_reflns_theta_min         3.706
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.175
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.547
_refine_diff_density_min         -1.589
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         6173
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+3.9166P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0841
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5683
_reflns_number_total             6173
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04561a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7045672--7045673.cif.'
_cod_database_code               7045672
_shelxl_version_number           2014-3
_shelx_res_checksum              10367