Synthesis of asymmetric heterotrimetallic gold clusters containing Mo, W, and Mn
Wang, Mei; Miguel, Daniel; López, Eva M.; Pérez, Julio; Riera, Víctor; Bois, Claudette; Jeannin, Yves; Dalton Transactions  (2003) 961–; doi:10.1039/b209842c

data_7012304
_publ_section_title
;
 Synthesis of asymmetric heterotrimetallic gold clusters containing Mo,
 W, and Mn
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              961
_journal_paper_doi               10.1039/b209842c
_journal_year                    2003
_chemical_compound_source        ?
_chemical_formula_moiety         'C43 H48 Au1 Mo1 Mn1 S2 P2 O1 H2'
_chemical_formula_sum            'C43 H50 Au Mn Mo O7 P2 S2'
_chemical_formula_weight         1152.77
_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'
_cell_angle_alpha                69.10(4)
_cell_angle_beta                 73.66(6)
_cell_angle_gamma                78.75(6)
_cell_formula_units_Z            2
_cell_length_a                   11.491(9)
_cell_length_b                   14.175(8)
_cell_length_c                   16.125(7)
_cell_measurement_reflns_used    251
_cell_measurement_temperature    294
_cell_measurement_theta_max      15.2
_cell_measurement_theta_min      15
_cell_volume                     2341(3)
_diffrn_ambient_temperature      293
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9364
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  'one hour'
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.858
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_description       box
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.67
_refine_diff_density_min         -1.42
_refine_ls_extinction_coef       109.9(136)
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_all   1.1141
_refine_ls_goodness_of_fit_obs   1.1141
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         5037
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_obs          0.0614
_refine_ls_shift/esd_max         0.03961
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_all         0.0699
_refine_ls_wR_factor_obs         0.0699
_reflns_number_observed          5037
_reflns_number_total             8238
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            b209842c.txt
_cod_data_source_block           Compound_3a_(e2)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'NONE' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2341(52)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C43 H50 Au1 Mo1 Mn1 O7 S2 P2'
_cod_database_code               7012304