Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.
Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate; Dalton transactions (Cambridge, England : 2003)  (2004) 659–667; doi:10.1039/b315221a

data_7013836
_publ_section_title
;
 Synthesis, structure and reactivity of ferrio-chloro-phosphanes,
 -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb);
 R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl,
 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel
 metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              659
_journal_page_last               667
_journal_paper_doi               10.1039/b315221a
_journal_year                    2004
_chemical_formula_moiety         'C21 H28 Cl Fe O2 Sb'
_chemical_formula_sum            'C21 H28 Cl Fe O2 Sb'
_chemical_formula_weight         525.48
_chemical_name_systematic        ?
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5910(13)
_cell_length_b                   15.1550(13)
_cell_length_c                   15.256(2)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      17.73
_cell_measurement_theta_min      3.65
_cell_volume                     2217.5(5)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'KappaCCD '
_computing_data_reduction
'EVALCCD (Duisenberg, 1998, Thesis. Utrecht Un'
_computing_molecular_graphics    'SHELXTL-PLUS (1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.0717
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            49430
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.41
_exptl_absorpt_coefficient_mu    2.004
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.635751
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0324
_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^)+(0.0248P)^2^+4.5207P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                1989
_reflns_number_total             2647
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b315221a.txt
_cod_data_source_block           compound2c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_database_code               7013836