From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.
Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9350–9357; doi:10.1039/d4dt00987h

data_7715972
_publ_section_title
;
 From phosphanylphosphaalkenes to coordination copper and silver polymers
 containing P-P bonds.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9350
_journal_page_last               9357
_journal_paper_doi               10.1039/d4dt00987h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C50 H66 P4 S2, C7 H8'
_chemical_formula_sum            'C57 H74 P4 S2'
_chemical_formula_weight         947.16
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
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_audit_conform_dict_name         cif_core.dic
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_audit_creation_date             2024-02-09T09:27:26-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-04-02 deposited with the CCDC.	2024-05-07 downloaded from the CCDC.
;
_cell_angle_alpha                105.193(3)
_cell_angle_beta                 94.859(3)
_cell_angle_gamma                101.727(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6607(4)
_cell_length_b                   17.1058(7)
_cell_length_c                   17.4524(7)
_cell_measurement_reflns_used    28602
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.72
_cell_measurement_theta_min      2.18
_cell_measurement_wavelength     0.71073
_cell_volume                     2696.0(2)
_computing_cell_refinement
;
X-Area Recipe 1.34.0.0 (STOE, 2019)
;
_computing_data_collection
;
X-Area WinXpose 2.0.22.0 (STOE, 2016)
;
_computing_data_reduction
;
X-Area Integrate 1.77.0.0 (STOE, 2019)
X-Area X-Red32 1.65.0.0 (STOE, 2018) 
;
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
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_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      ' 221 frames, detector distance = 100 mm'
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method, \w scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'parabolic x-ray mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0837
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31065
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         1.489
_diffrn_source                   'GeniX Mo, 0.05 x 0.05 mm2 microfocus'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.253
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.007
_refine_diff_density_max         0.679
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     585
_refine_ls_number_reflns         14459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0702
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0298P)^2^+6.8848P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.151
_refine_ls_wR_factor_ref         0.1742
_reflns_Friedel_coverage         0
_reflns_number_gt                9914
_reflns_number_total             14459
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00987h2.cif
_cod_data_source_block           3c
_cod_depositor_comments
'Adding full bibliography for 7715966--7715972.cif.'
_cod_database_code               7715972
_shelx_estimated_absorpt_t_min   0.954
_shelx_estimated_absorpt_t_max   0.998