Asymmetric structure of <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II) dinitrate
Kiwada, Tatsuto; Takayama, Hiroshi; Hirasaki, Aika; Ogawa, Kazuma; Odani, Akira; Acta Crystallographica Section C 73 (2017) 975–978; doi:10.1107/S2053229617014255

data_2020937
_publ_section_title
;
 Asymmetric structure of
 <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II)
 dinitrate
;
_journal_coeditor_code           QS3062
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              975
_journal_page_last               978
_journal_paper_doi               10.1107/S2053229617014255
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Pt (C17 H18 N2) (C5 H5 N1)2] (N O3)2'
_chemical_formula_moiety         'C27 H28 N4 Pt 2+, 2(N O3 -)'
_chemical_formula_sum            'C27 H28 N6 O6 Pt'
_chemical_formula_weight         727.64
_chemical_name_systematic
;
<i>cis</i>-{<i>N</i>-[(Anthracen-9-yl)methyl]ethane-1,2-diamine}bis(pyridine-\
\k<i>N</i>)platinum(II) dinitrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                98.7061(14)
_cell_angle_beta                 110.5915(15)
_cell_angle_gamma                113.5911(16)
_cell_formula_units_Z            2
_cell_length_a                   10.264(2)
_cell_length_b                   12.066(3)
_cell_length_c                   13.382(3)
_cell_measurement_reflns_used    4674
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1336.8(5)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2000)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2000)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2000)
;
_computing_molecular_graphics
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_publication_material
;
ORTEP-3 (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXT (Sheldrick, 2015a)
;
_computing_structure_solution
;
SIR2014 (Burla <i>et al.</i>,  2015)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10468
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         3.197
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.302
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrystalClear; Rigaku, 2000)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_description       prism
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.852
_refine_diff_density_min         -1.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0213
_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^)+(0.0229P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0500
_refine_ls_wR_factor_ref         0.0503
_reflns_number_gt                5457
_reflns_number_total             5837
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            qs3062sup1.cif
_cod_data_source_block           I
_cod_database_code               2020937
_cod_database_fobs_code          2020937
_shelx_estimated_absorpt_t_min   0.417
_shelx_estimated_absorpt_t_max   0.417
_shelx_hkl_checksum              40155
_shelx_res_checksum              49769