An osmium hydrido methyl species via an unconventional methyl transfer
Yandulov, Dmitry V.; Huffman, John C.; Caulton, Kenneth G.; New Journal of Chemistry 24 (2000) 649–650; doi:10.1039/b004484i

data_7051326
_publ_section_title
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 An osmium hydrido methyl species via an unconventional methyl transfer
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_journal_coden_ASTM              NJCHE5
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              649
_journal_page_last               650
_journal_paper_doi               10.1039/b004484i
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C26 H58 N2 O Os P2'
_chemical_formula_weight         666.937
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                103.6978
_cell_angle_beta                 99.4508(12)
_cell_angle_gamma                98.8901(12)
_cell_formula_units_Z            2
_cell_length_a                   8.8330(2)
_cell_length_b                   11.5202(3)
_cell_length_c                   16.0550(4)
_cell_measurement_temperature    113.
_cell_volume                     1533.49(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      113.
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            42598
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         32.5295
_diffrn_reflns_theta_min         2.38659
_exptl_absorpt_coefficient_mu    4.2786
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             684
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .25
_refine_diff_density_max         2.43
_refine_diff_density_min         -0.75
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       0.000000154(14)
_refine_ls_extinction_expression
;
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   0.5487
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         98990
_refine_ls_R_factor_gt           0.0159
_refine_ls_shift/su_max          0.0048
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0134
_reflns_number_gt                9900
_reflns_number_total             11137
_reflns_threshold_expression     F^2^>2.33\s(F^2^)
_cod_depositor_comments
;
 Adding additional data from the original supplementary material.

 Antanas Vaitkus,
 2018-09-15
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_cod_original_formula_sum        'C26 H58 N2 O1 Os1 P2'
_cod_database_code               7051326