On the many roles of NH3 ligands in mono- and multinuclear complexes of platinum
Miguel, Pablo J. Sanz; Roitzsch, Michael; Yin, Lu; Lax, Patrick M.; Holland, Lars; Krizanovic, Olga; Lutterbeck, Matthias; Schürmann, Markus; Fusch, Edda C.; Lippert, Bernhard; Dalton Transactions  (2009) 10774–10786; doi:10.1039/b916537a

data_7002975
_publ_section_title
;
 On the many roles of NH3 ligands in mono- and multinuclear complexes
 of platinum
;
_journal_issue                   48
_journal_name_full               'Dalton Transactions'
_journal_page_first              10774
_journal_page_last               10786
_journal_paper_doi               10.1039/b916537a
_journal_year                    2009
_chemical_formula_moiety         '2(C10 H24 N10 O2 Pt2), Br4, 4(H2 O)'
_chemical_formula_sum            'C20 H56 Br4 N20 O8 Pt4'
_chemical_formula_weight         1804.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-07-05T16:21:05-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 103.613(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8803(14)
_cell_length_b                   17.537(4)
_cell_length_c                   14.2272(15)
_cell_measurement_reflns_used    1809
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9805
_cell_measurement_theta_min      2.3251
_cell_volume                     2395.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.824
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0708
_diffrn_reflns_av_unetI/netI     0.2184
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6204
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         29.01
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    15.035
_exptl_absorpt_correction_T_max  0.222
_exptl_absorpt_correction_T_min  0.173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.686
_refine_diff_density_min         -2.288
_refine_diff_density_rms         0.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.841
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.841
_refine_ls_R_factor_all          0.1187
_refine_ls_R_factor_gt           0.054
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0502P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.111
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                1316
_reflns_number_total             2640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916537a.txt
_cod_data_source_block           1b
_cod_original_cell_volume        2395.9(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7002975