[Pb{Mn(CO)<sub>5</sub>}<sub>3</sub>][AlCl<sub>4</sub>]: a lead-manganese carbonyl with AlCl<sub>4</sub>-linked PbMn<sub>3</sub> clusters.
Wolf, Silke; Fenske, Dieter; Klopper, Wim; Feldmann, Claus; Dalton transactions (Cambridge, England : 2003) 48 (2019) 4696–4701; doi:10.1039/c9dt00309f

data_7049325
_publ_section_title
;
 [Pb{Mn(CO)<sub>5</sub>}<sub>3</sub>][AlCl<sub>4</sub>]: a lead-manganese
 carbonyl with AlCl<sub>4</sub>-linked PbMn<sub>3</sub> clusters.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4696
_journal_page_last               4701
_journal_paper_doi               10.1039/c9dt00309f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C15 Al Cl4 Mn3 O15 Pb'
_chemical_formula_weight         960.94
_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Hygroscopic
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-01-11 deposited with the CCDC.    2019-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.94(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.208(2)
_cell_length_b                   17.620(3)
_cell_length_c                   17.915(5)
_cell_measurement_reflns_used    36899
_cell_measurement_temperature    150
_cell_measurement_theta_max      64.34
_cell_measurement_theta_min      3.32
_cell_volume                     2763.8(12)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150
_diffrn_detector                 EIGER4M
_diffrn_detector_area_resol_mean 13.33
_diffrn_measured_fraction_theta_full 0.846
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, \w scans'
_diffrn_radiation_collimation    '1.2 0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34143
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_unetI/netI     0.0188
_diffrn_reflns_Laue_measured_fraction_full 0.846
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            17096
_diffrn_reflns_point_group_measured_fraction_full 0.846
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         62.547
_diffrn_reflns_theta_min         3.320
_diffrn_source                   'Metaljet D2'
_exptl_absorpt_coefficient_mu    18.302
_exptl_absorpt_correction_T_max  0.0063
_exptl_absorpt_correction_T_min  0.0010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(\m~2~-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
Afterwards a spherical absorption correction was performed within STOE LANA.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.309
_exptl_crystal_description       prism
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.226
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6331
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0605P)^2^+4.7900P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5895
_reflns_number_total             6331
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00309f1.cif
_cod_data_source_block           PbMn3(CO)18ALCl4
_cod_depositor_comments          'Adding full bibliography for 7049325.cif.'
_cod_database_code               7049325
_shelxl_version_number           2013-2
_shelx_res_checksum              90046