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_7045050
_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            'C48 H35 Cl5 Cr N8 Sn'
_chemical_formula_weight         1071.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-09-17 deposited with the CCDC.
2017-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                82.580(6)
_cell_angle_beta                 78.880(7)
_cell_angle_gamma                85.730(5)
_cell_formula_units_Z            2
_cell_length_a                   10.0860(10)
_cell_length_b                   13.2110(10)
_cell_length_c                   16.6470(10)
_cell_measurement_reflns_used    15000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      5
_cell_volume                     2155.5(3)
_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 0.890
_diffrn_measured_fraction_theta_max 0.762
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.87313
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.890
_diffrn_reflns_Laue_measured_fraction_max 0.762
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30393
_diffrn_reflns_point_group_measured_fraction_full 0.890
_diffrn_reflns_point_group_measured_fraction_max 0.762
_diffrn_reflns_theta_full        31.280
_diffrn_reflns_theta_max         35.590
_diffrn_reflns_theta_min         2.710
_diffrn_source                   'BL 14.2 PSF, BESSY, Berlin, Germany'
_exptl_absorpt_coefficient_mu    2.070
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_description       plate
_exptl_crystal_F_000             1076
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: o-dichlorobenzene/ n-hexane mixture'
_exptl_crystal_size_max          0.030
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.005
_refine_diff_density_max         3.001
_refine_diff_density_min         -1.014
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         8157
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+13.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1561
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7316
_reflns_number_total             8157
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt03807k2.cif
_cod_data_source_block           crcpc601
_cod_depositor_comments
'Adding full bibliography for 7045049--7045050.cif.'
_cod_database_code               7045050
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.994
_shelx_res_checksum              90387