Crystal structure of tris[(diphenylphosphino)methylene) diphenylphosphoranylmethyl]yttrium diethyl ether monosolvate, [Y{P(C~6~H~5~)~2~CHP(C~6~H~5~)~2~CH~2~}~3~] · (C~2~H~5~)~2~O
Spannenberg, A.; Müller, B.; Rosenthal, U.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 581–584; doi:

data_8101870
_publ_section_title
;
Crystal structure of tris[(diphenylphosphino)methylene)
diphenylphosphoranylmethyl]yttrium diethyl ether monosolvate, 
[Y{P(C~6~H~5~)~2~CHP(C~6~H~5~)~2~CH~2~}~3~] &#x00B7; (C~2~H~5~)~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              581
_journal_page_last               584
_journal_volume                  220
_journal_year                    2005
_chemical_formula_structural     'Y(C26H23P2)3 &#x00B7; C2H5O'
_chemical_formula_sum            'C82 H79 O P6 Y'
_chemical_formula_weight         1355.18
_chemical_name_systematic
; 
tris[{((diphenylphosphino)methylene)diphenylphosphoranyl}methyl]yttrium 
ethyl ether monosolvate
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.392(5)
_cell_length_b                   12.632(2)
_cell_length_c                   23.709(5)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      4
_cell_volume                     7172(3)
_computing_cell_refinement       STOE-CELL
_computing_data_collection       STOE-EXPOSE
_computing_data_reduction        STOE-INTEGRATE
_computing_molecular_graphics    XP
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'phi, laser scanned imaging plate'
_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  0.1190
_diffrn_reflns_av_sigmaI/netI    0.2600
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20771
_diffrn_reflns_theta_full        24.23
_diffrn_reflns_theta_max         24.23
_diffrn_reflns_theta_min         1.79
_diffrn_standards_interval_time  360
_diffrn_standards_number         50-200
_exptl_absorpt_coefficient_mu    0.992
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.492
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.762
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         10974
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.762
_refine_ls_R_factor_all          0.1679
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0273P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.1121
_reflns_number_gt                4173
_reflns_number_total             10974
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1650.cff
_cod_data_source_block           ks371m
_cod_original_cell_volume        7172(2)
_cod_original_sg_symbol_H-M      P12/c1
_cod_database_code               8101870