Phase transformation induced mechanochromism in a platinum salt: a tale of two polymorphs.
Norton, Amie E.; Abdolmaleki, Mahmood Karimi; Liang, Jiamin; Sharma, Malvika; Golsby, Robert; Zoller, Ann; Krause, Jeanette A.; Connick, William B.; Chatterjee, Sayandev; Chemical communications (Cambridge, England) 56 (2020) 10175–10178; doi:10.1039/d0cc03436c

data_7126946
_publ_section_title
;
 Phase transformation induced mechanochromism in a platinum salt: a tale
 of two polymorphs.
;
_journal_issue                   70
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10175
_journal_page_last               10178
_journal_paper_doi               10.1039/d0cc03436c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C15 H11 N3 Cl Pt, N O3, H N O3'
_chemical_formula_sum            'C15 H12 Cl N5 O6 Pt'
_chemical_formula_weight         588.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-09-30 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                68.6520(10)
_cell_angle_beta                 84.6930(10)
_cell_angle_gamma                89.7600(10)
_cell_formula_units_Z            2
_cell_length_a                   9.06380(10)
_cell_length_b                   9.77440(10)
_cell_length_c                   10.39170(10)
_cell_measurement_reflns_used    5389
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      67.45
_cell_measurement_theta_min      4.59
_cell_volume                     853.359(16)
_computing_cell_refinement       'Bruker SMART v5.634'
_computing_data_collection       'Bruker SMART v5.634'
_computing_data_reduction        'Bruker SAINT v7.66A'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement
'SHELXL-2017/1 (Sheldrick, 2017, G.M. Sheldrick (2015) Acta Cryst., C71, 3-8)'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker SMART6000 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 0.944
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7075
_diffrn_reflns_point_group_measured_fraction_full 0.944
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        67.621
_diffrn_reflns_theta_max         67.621
_diffrn_reflns_theta_min         4.590
_exptl_absorpt_coefficient_mu    17.269
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v2008/1 (L.Krause, et al. J. Appl. Cryst. (2015), 48, 3-10)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.292
_exptl_crystal_description       plate
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.177
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         2905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0525P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0811
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2687
_reflns_number_total             2905
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03436c2.cif
_cod_data_source_block           YELLOW
_cod_depositor_comments
'Adding full bibliography for 7126945--7126946.cif.'
_cod_database_code               7126946
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.130
_shelx_estimated_absorpt_t_max   0.846
_shelx_res_checksum              67768