1-(<i>N</i>,<i>N</i>-Dimethylferrocenylmethylamine)-2-methyl-3-(trimethylsilyl)-2,3-dicarba-1-plumba-<i>closo</i>-heptaborane(6)
Zhang, H.; Jia, L.; Hosmane, N. S.; Acta Crystallographica Section C 49 (1993) 791–793; doi:10.1107/S0108270192010576

data_2001812
_publ_section_title
1-(<i>N</i>,<i>N</i>-Dimethylferrocenylmethylamine)-2-methyl-3-(trimethylsilyl)-2,3-dicarba-1-plumba-<i>closo</i>-heptaborane(6)
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              791
_journal_page_last               793
_journal_paper_doi               10.1107/S0108270192010576
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C19 H33 B4 Fe N Pb Si'
_chemical_formula_weight         609.8
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 92.49(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.070(2)
_cell_length_b                   8.1560(10)
_cell_length_c                   28.820(7)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    230
_cell_measurement_theta_max      15
_cell_measurement_theta_min      9
_cell_volume                     2364.8(8)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            5189
_diffrn_reflns_theta_max         27.0
_diffrn_standards_decay_%        <1.36
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.64
_exptl_absorpt_correction_T_max  0.9807
_exptl_absorpt_correction_T_min  0.6066
_exptl_absorpt_correction_type   Semi-empirical
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.71
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.11
_refine_diff_density_min         -1.06
_refine_ls_goodness_of_fit_obs   1.04
_refine_ls_hydrogen_treatment    'H atoms: riding model, fixed U = 0.08 \%A^2^'
_refine_ls_number_parameters     244
_refine_ls_number_reflns         2846
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.042
_reflns_number_observed          2846
_reflns_observed_criterion       F>6.0\s(F)
_cod_data_source_file            cr1014.cif
_cod_data_source_block           cr1014_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0004F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C19 H33 B4 Fe1 N1 Pb1 Si1'
_cod_database_code               2001812