The Chloromethylgermyl Complexes (η5-C5H5)M(CO)nGeR2CH2Cl [M = Fe (n= 2), Mo, W (n= 3)]: Rearrangements, Transformations to 1-Germa-3-metallacyclobutanes (η5-C5H4)M(CO)nCH2GeR2, and their Ring-Opening Polymerizations
Apodaca, Paula; Kumar, Mukesh; Cervantes-Lee, Francisco; Sharma, Hemant K.; Pannell, Keith H.; Organometallics 27 (2008) 3136–; doi:10.1021/om800059r

data_4071247
_publ_section_title
;
 The Chloromethylgermyl Complexes (\h5-C5H5)M(CO)nGeR2CH2Cl [M = Fe (n=
 2), Mo, W (n= 3)]: Rearrangements, Transformations to
 1-Germa-3-metallacyclobutanes (\h5-C5H4)M(CO)nCH2GeR2, and their
 Ring-Opening Polymerizations
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3136
_journal_paper_doi               10.1021/om800059r
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C11 H12 Ge O3 W'
_chemical_formula_weight         448.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.509(5)
_cell_angle_beta                 79.760(5)
_cell_angle_gamma                81.872(5)
_cell_formula_units_Z            4
_cell_length_a                   6.822(2)
_cell_length_b                   13.361(4)
_cell_length_c                   14.685(4)
_cell_measurement_reflns_used    45
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     1296.3(6)
_computing_cell_refinement       'Bruker SMART v5.625, 2001'
_computing_data_collection       'Bruker SMART v5.625, 2001'
_computing_data_reduction        'Bruker SAINT v5.622, 2001'
_computing_molecular_graphics    'Bruker SHELXTL v6.10, 2000'
_computing_publication_material  'Bruker SHELXTL v6.10, 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX 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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5776
_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    11.173
_exptl_absorpt_correction_T_max  0.5537
_exptl_absorpt_correction_T_min  0.2134
_exptl_absorpt_correction_type   'Bruker SADABS V2.05'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.299
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.667
_refine_diff_density_min         -1.101
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         3680
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.064
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                3158
_reflns_number_total             3680
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800059r-file002.cif
_cod_data_source_block           144pa1m
_cod_original_cell_volume        1296.4(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4071247