Synthesis and derivatization of highly-functionalized ?5-phospholes
Javier Ruiz; Marta P. Gonzalo; Marilin Vivanco; Santiago; Garcia-Grand; Chem.Commun. 50 (2014) 5597–; doi:10.1039/C4CC02089H

data_7113326
_publ_section_title
;
 Synthesis and derivatization of highly-functionalized ?5-phospholes
;
_journal_name_full               Chem.Commun.
_journal_page_first              5597
_journal_paper_doi               10.1039/C4CC02089H
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C53 H61 Cl4 N O P2 Ru2, C2 H4 Cl2'
_chemical_formula_sum            'C55 H65 Cl6 N O P2 Ru2'
_chemical_formula_weight         1232.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 94.674(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   61.933(2)
_cell_length_b                   17.1300(4)
_cell_length_c                   21.7555(7)
_cell_measurement_reflns_used    8766
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      31
_cell_measurement_theta_min      3
_cell_volume                     23003.9(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120.0(1)
_diffrn_detector_area_resol_mean 10.2673
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.1172
_diffrn_reflns_av_sigmaI/netI    0.1675
_diffrn_reflns_limit_h_max       85
_diffrn_reflns_limit_h_min       -84
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            104618
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.14
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.875
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             10080
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.738
_refine_diff_density_min         -2.699
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1207
_refine_ls_number_reflns         34076
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.2080
_refine_ls_R_factor_gt           0.1134
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0901P)^2^+204.1071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2260
_refine_ls_wR_factor_ref         0.2743
_reflns_number_gt                17273
_reflns_number_total             34076
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc02089h2.cif
_cod_data_source_block           13
_cod_original_cell_volume        23003.8(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7113326