The heterometallic one-dimensional solvated coordination polymer [NiPt<sub>2</sub>Cl<sub>6</sub>(TRIP-Py)<sub>4</sub>]<sub>n</sub>.
Gildenast, Hans; Gruszien, Lukas; Englert, Ulli; Acta crystallographica. Section C, Structural chemistry 79 (2023) 118–124; doi:10.1107/S2053229623001845

data_2312100
_publ_section_title
;
 The heterometallic one-dimensional solvated coordination polymer
 [NiPt<sub>2</sub>Cl<sub>6</sub>(TRIP-Py)<sub>4</sub>]<sub>n</sub>.
;
_journal_coeditor_code           EF3041
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              118
_journal_page_last               124
_journal_paper_doi               10.1107/S2053229623001845
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac
'[Ni Pt2 Cl6 (C29 H20 N1 P1 Si1)4], 5C H2 Cl2, 20C2 H6 O'
_chemical_formula_moiety
'C116 H80 Cl6 N4 Ni P4 Pt2 Si4, 5(C H2 Cl2), 20(C2 H6 O)'
_chemical_formula_sum            'C161 H210 Cl16 N4 Ni O20 P4 Pt2 Si4'
_chemical_formula_weight         3773.65
_chemical_name_common
;
Hexachloridotetrakis{10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-\
silatriptycene}nickeldiplatinum--dichloromethane--ethanol
(1/5/20), [NiPt~2Cl~6(TRIPPy)~4]
;
_chemical_name_systematic
;<i>catena</i>-Poly[[[dichloridonickel(II)]-bis{\m-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}-bis[dichloridoplatinum(II)]-bis{\m-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}] dichloromethane
pentasolvate ethanol icosasolvate]
;
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                71.313(7)
_cell_angle_beta                 81.809(13)
_cell_angle_gamma                78.917(19)
_cell_formula_units_Z            1
_cell_length_a                   12.702(7)
_cell_length_b                   19.372(10)
_cell_length_c                   20.340(7)
_cell_measurement_reflns_used    18294
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.171
_cell_measurement_theta_min      1.154
_cell_volume                     4635(4)
_computing_cell_refinement
;
XDS2022 (Kabsch 2010)
;
_computing_data_collection
;
KAPPA (Paulmann, 2023)
;
_computing_data_reduction
;
XDS2022 (Kabsch 2010)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020)
;
_computing_publication_material
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type
'Area detector Dectris CdTe on kappa goniometer at EH1 P24, DESY'
_diffrn_measurement_method       'rotation method, \w scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.500
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            161591
_diffrn_reflns_theta_full        17.458
_diffrn_reflns_theta_max         19.171
_diffrn_reflns_theta_min         1.312
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.8366
_exptl_absorpt_correction_T_min  0.7751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2003)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_description       block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.584
_refine_diff_density_min         -1.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         20869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0595P)^2^+1.5152P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1077
_reflns_number_gt                16117
_reflns_number_total             20869
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ef3041sup1.cif
_cod_data_source_block           I
_cod_database_code               2312100
_shelx_estimated_absorpt_t_min   0.859
_shelx_estimated_absorpt_t_max   0.926
_shelx_hkl_checksum              3412
_shelx_res_checksum              99058
_shelx_fab_checksum              92289
_cod_database_fobs_code 2312100