Red and blue luminescent metallo-supramolecular coordination polymers assembled through π‒π interactions †
Alcock, Nathaniel W.; Barker, Philip R.; Haider, Johanna M.; Hannon, Michael J.; Painting, Claire L.; Pikramenou, Zoe; Plummer, Edward A.; Rissanen, Kari; Saarenketo, Pauli; Journal of the Chemical Society, Dalton Transactions  (2000) 1447–; doi:10.1039/b000871k

data_7009420
_publ_section_title
;
 Red and blue luminescent metallo-supramolecular coordination polymers
 assembled through \p--\p interactions&#x200A;&#x2020;
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1447
_journal_paper_doi               10.1039/b000871k
_journal_year                    2000
_chemical_formula_sum            'C58.5 H46 Cu F12 N7 O2.5 P2'
_chemical_formula_weight         1240.50
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.304(2)
_cell_length_b                   17.2230(10)
_cell_length_c                   16.6490(10)
_cell_measurement_temperature    173(2)
_cell_volume                     11475.8(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1248
_diffrn_reflns_av_sigmaI/netI    0.1806
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32236
_diffrn_reflns_theta_full        27.83
_diffrn_reflns_theta_max         27.83
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.8798
_exptl_absorpt_correction_T_min  0.8798
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5064
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.750
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.274
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         13541
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.377
_refine_ls_R_factor_all          0.2670
_refine_ls_R_factor_gt           0.1542
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3900
_refine_ls_wR_factor_ref         0.4410
_reflns_number_gt                6103
_reflns_number_total             13541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b000871k.txt
_cod_data_source_block           mh002
_cod_original_cell_volume        11475.8(11)
_cod_original_formula_sum        'C58.50 H46 Cu F12 N7 O2.50 P2'
_cod_database_code               7009420