Reaction of tin(iv) phthalocyanine dichloride with decamethylmetallocenes (M = Cr<sup>II</sup> and Co<sup>II</sup>). Strong magnetic coupling of spins in (Cp*<sub>2</sub>Co<sup>+</sup>){Sn<sup>IV</sup>Cl<sub>2</sub>(Pc˙<sup>3-</sup>)}˙<sup>-</sup>·2C<sub>6</sub>H<sub>4</sub>Cl<sub>2</sub>.
Konarev, Dmitri V.; Troyanov, Sergey I.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 1243–1250; doi:10.1039/c7dt03807k

data_7045049
_publ_section_title
;
 Reaction of tin(iv) phthalocyanine dichloride with decamethylmetallocenes
 (M = Cr<sup>II</sup> and Co<sup>II</sup>). Strong magnetic coupling of
 spins in
 (Cp*<sub>2</sub>Co<sup>+</sup>){Sn<sup>IV</sup>Cl<sub>2</sub>(Pc&#x02D9;<sup>3-</sup>)}&#x02D9;<sup>-</sup>&#x00B7;2C<sub>6</sub>H<sub>4</sub>Cl<sub>2</sub>.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1243
_journal_page_last               1250
_journal_paper_doi               10.1039/c7dt03807k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C64 H54 Cl6 Co N8 Sn'
_chemical_formula_weight         1325.47
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-16 deposited with the CCDC.
2017-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.234(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6760(10)
_cell_length_b                   28.916(3)
_cell_length_c                   18.615(2)
_cell_measurement_reflns_used    34000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      5
_cell_volume                     5687.3(10)
_computing_cell_refinement       XDS
_computing_data_collection       XDS
_computing_data_reduction        XDS
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.84344
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.932
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            87516
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_theta_full        30.100
_diffrn_reflns_theta_max         34.740
_diffrn_reflns_theta_min         2.435
_diffrn_source                   'BL 14.2 PSF, BESSY, Berlin, Germany'
_exptl_absorpt_coefficient_mu    1.680
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_description       needle
_exptl_crystal_F_000             2692
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: n-hexane/o-dichlorobenzene misture'
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.047
_refine_diff_density_min         -0.942
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         13710
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+15.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1156
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12829
_reflns_number_total             13710
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt03807k2.cif
_cod_data_source_block           kon15-2
_cod_depositor_comments
'Adding full bibliography for 7045049--7045050.cif.'
_cod_database_code               7045049
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.949
_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              68818