Synthesis, Characterization, and Reactivity of the Group 11 Hydrido Clusters [Ag<sub>6</sub>H<sub>4</sub>(dppm)<sub>4</sub>(OAc)<sub>2</sub>] and [Cu<sub>3</sub>H(dppm)<sub>3</sub>(OAc)<sub>2</sub>].
Cook, Andrew W.; Nguyen, Thuy-Ai D; Buratto, William R.; Wu, Guang; Hayton, Trevor W.; Inorganic chemistry 55 (2016) 12435–12440; doi:10.1021/acs.inorgchem.6b02385

data_4349323
_publ_section_title
;
 Synthesis, Characterization, and Reactivity of the Group 11 Hydrido
 Clusters [Ag<sub>6</sub>H<sub>4</sub>(dppm)<sub>4</sub>(OAc)<sub>2</sub>]
 and [Cu<sub>3</sub>H(dppm)<sub>3</sub>(OAc)<sub>2</sub>].
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12435
_journal_page_last               12440
_journal_paper_doi               10.1021/acs.inorgchem.6b02385
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C91 H85 Cu3 O4 P6'
_chemical_formula_weight         1619.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 105.106(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.493(3)
_cell_length_b                   43.365(9)
_cell_length_c                   13.796(4)
_cell_measurement_reflns_used    1018
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      359
_cell_measurement_theta_min      294
_cell_volume                     7793(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1046
_diffrn_reflns_av_unetI/netI     0.1210
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -54
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            47491
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.683
_diffrn_reflns_theta_min         1.599
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       block
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.247
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     943
_refine_ls_number_reflns         16382
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+0.1903P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1137
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10152
_reflns_number_total             16382
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b02385_si_001.cif
_cod_data_source_block           AC_Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        7794(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4349323
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.827
_shelx_estimated_absorpt_t_max   0.952
_shelx_res_checksum              89251
_shelx_hkl_checksum              42059