Methyl transfer from Fe (and Mo) to Sn: formation of (η5-C5H5)M(CO)nSntBu2Me (M = Fe, n = 2; M = Mo, n = 3) complexes from photochemical irradiation of (η5-C5H5)M(CO)nMe and tBu2SnH2
Sharma, Hemant K.; Arias-Ugarte, Renzo; Metta-Magana, Alejandro; Pannell, Keith H.; Chemical Communications 46 (2010) 4586–4588; doi:10.1039/b925851e

data_7111576
_publ_section_title
;
 Methyl transfer from Fe (and Mo) to Sn: formation of
 (\h5-C5H5)M(CO)nSntBu2Me (M = Fe, n = 2; M = Mo, n = 3) complexes from
 photochemical irradiation of (\h5-C5H5)M(CO)nMe and tBu2SnH2
;
_journal_issue                   25
_journal_name_full               'Chemical Communications'
_journal_page_first              4586
_journal_page_last               4588
_journal_paper_doi               10.1039/b925851e
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C17 H26 Mo O3 Sn'
_chemical_formula_sum            'C17 H26 Mo O3 Sn'
_chemical_formula_weight         493.01
_chemical_name_common
;triscarbonyl-(eta$5!-cyclopentadienyl)-(di-t-
butylmethylstannyl)-Molibdenum
;
_chemical_name_systematic
;
triscarbonyl-(\h^5^-cyclopentadienyl)-(di-t-butylmethylstannyl)-Molibdenum
;
_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                 91.1170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.0282(17)
_cell_length_b                   8.5122(8)
_cell_length_c                   24.573(2)
_cell_measurement_reflns_used    12247
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.301
_cell_measurement_theta_min      2.121
_cell_volume                     3979.4(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            19452
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.894
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         3880
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+5.8154P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                3730
_reflns_number_total             3880
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B925851Esup1.cif
_cod_data_source_block           072ra1ms
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3979.3(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7111576