<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate
Cheun, Young; Lee, Seongmin; IUCrData 1 (2016) x160481–; doi:10.1107/S2414314616004818

data_1543037
_publ_section_title
;
 <i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-\k^2^<i>N</i>,<i>N</i>']platinum(II)
 dinitrate
;
_journal_coeditor_code           XU4005
_journal_issue                   4
_journal_name_full               IUCrData
_journal_page_first              x160481
_journal_paper_doi               10.1107/S2414314616004818
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Pt (C16 H18 N3) (N H3)2] (N O3)2'
_chemical_formula_moiety         'C17 H24 Cl N5 O Pt 2+, 2(N O3 -)'
_chemical_formula_sum            'C17 H24 Cl N7 O7 Pt'
_chemical_formula_weight         668.97
_chemical_name_systematic
;<i>cis</i>-Diammine[3-(3-chloro-7-methoxy-9,10-dihydroacridin-9-ylideneamino)propan-1-amine-\k^2^<i>N</i>,<i>N</i>']platinum(II)
dinitrate
;
_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'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 92.478(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6398(3)
_cell_length_b                   10.8372(11)
_cell_length_c                   25.982(4)
_cell_measurement_reflns_used    2416
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.7
_cell_measurement_theta_min      3.38
_cell_volume                     2149.1(4)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2013)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SUPERFLIP (Palatinus & Chapuis, 2007)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Agilent SuperNova with AtlasS2 CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0660
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            8178
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.178
_diffrn_reflns_theta_min         3.405
_exptl_absorpt_coefficient_mu    13.870
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.503
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2013)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_description       needle
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.024
_exptl_crystal_size_min          0.016
_refine_diff_density_max         2.222
_refine_diff_density_min         -3.369
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4158
_refine_ls_number_restraints     444
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0590
_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^)+(0.0625P)^2^+7.5338P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1388
_refine_ls_wR_factor_ref         0.1547
_reflns_number_gt                3105
_reflns_number_total             4158
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xu4005sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1543037.cif.'
_cod_database_code               1543037
_cod_database_fobs_code          1543037
_shelx_estimated_absorpt_t_min   0.266
_shelx_estimated_absorpt_t_max   0.809
_shelx_hkl_checksum              80452
_shelx_res_checksum              95750