Copper(II) and nickel(II) hexafluorophosphate complexes derived from a monoanionic porphyrin analogue: solvato- and thermochromism of the Ni complexes by spin-interconversion.
Ishida, Masatoshi; Naruta, Yoshinori; Tani, Fumito; Dalton transactions (Cambridge, England : 2003) 39 (2010) 2651–2659; doi:10.1039/b921609j

data_7024805
_publ_section_title
;
 Copper(II) and nickel(II) hexafluorophosphate complexes derived from a
 monoanionic porphyrin analogue: solvato- and thermochromism of the Ni
 complexes by spin-interconversion.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2651
_journal_page_last               2659
_journal_paper_doi               10.1039/b921609j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C45 H43 Cu F6 N4 O10 P '
_chemical_formula_sum            'C45 H43 Cu F6 N4 O10 P'
_chemical_formula_weight         1008.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.09(3)
_cell_angle_beta                 106.78(3)
_cell_angle_gamma                92.90(3)
_cell_formula_units_Z            2
_cell_length_a                   12.227(5)
_cell_length_b                   12.954(5)
_cell_length_c                   15.455(7)
_cell_measurement_reflns_used    18663
_cell_measurement_temperature    133.1
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.2
_cell_volume                     2186.1(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19943
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1038.00
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         4.79
_refine_diff_density_min         -2.05
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.886
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     647
_refine_ls_number_reflns         19943
_refine_ls_R_factor_gt           0.0887
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0099Fo^2^ + 5.5000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2457
_reflns_number_gt                16956
_reflns_number_total             9739
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b921609j.txt
_cod_data_source_block           '_ishida'
_cod_original_cell_volume        2186.3(16)
_cod_original_formula_sum        'C45 H43 Cu F6 N4 O10 P '
_cod_database_code               7024805