Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.
Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie; Dalton transactions (Cambridge, England : 2003) 44 (2015) 18760–18768; doi:10.1039/c5dt02567b

data_7035957
_publ_section_title
;
 Heterobimetallic complexes with highly flexible
 1,1'-bis(phospholanoalkyl)ferrocene ligands.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18760
_journal_page_last               18768
_journal_paper_doi               10.1039/c5dt02567b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C26 H40 Cl2 Fe P2 Pt'
_chemical_formula_weight         736.36
_chemical_name_systematic
cis-Dichlorido-[1,1?-Bis(4-(phospholano)butyl)ferrocene-\k2P,P?]-platinum(II)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2015-07-06T08:17:23-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-07-06 deposited with the CCDC.
2015-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                72.024(5)
_cell_angle_beta                 85.158(5)
_cell_angle_gamma                76.207(5)
_cell_formula_units_Z            2
_cell_length_a                   8.858(5)
_cell_length_b                   10.490(5)
_cell_length_c                   15.400(5)
_cell_measurement_reflns_used    7289
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.314
_cell_measurement_theta_min      2.132
_cell_volume                     1321.8(11)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0257837
_diffrn_orient_matrix_UB_12      0.0202164
_diffrn_orient_matrix_UB_13      -0.0460566
_diffrn_orient_matrix_UB_21      -0.0084719
_diffrn_orient_matrix_UB_22      0.0680904
_diffrn_orient_matrix_UB_23      0.0018283
_diffrn_orient_matrix_UB_31      0.0778625
_diffrn_orient_matrix_UB_32      -0.0165936
_diffrn_orient_matrix_UB_33      0.0148492
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10398
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    6.172
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.95647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
        (compiled Feb  1 2013,16:14:44)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear orange'
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.768
_refine_diff_density_min         -1.375
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5383
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.917
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0219P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0478
_reflns_number_gt                4678
_reflns_number_total             5383
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5dt02567b2.cif
_cod_data_source_block           x1915fin
_cod_depositor_comments
'Adding full bibliography for 7035957--7035962.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035957