[13,27-Dichloro-3,6,9,17,20,23-hexaazatetracyclo[23.3.1.1^11,15^.0^2,6^]triaconta-1(29),9,11,13,15(30),16,23,25,27-nonaene-29,30-diol-κ^5^<i>N</i>^17^,<i>N</i>^20^,<i>N</i>^23^,<i>O</i>^29^,<i>O</i>^30^]bis(nitrato-κ^2^<i>O</i>,<i>O</i>')europium(III) nitrate methanol hemisolvate
Yue, Xia-Li; Acta Crystallographica Section E 65 (2009) m614–; doi:10.1107/S1600536809013440

data_2221909
_publ_section_title
;[13,27-Dichloro-3,6,9,17,20,23-hexaazatetracyclo[23.3.1.1^11,15^.0^2,6^]triaconta-1(29),9,11,13,15(30),16,23,25,27-nonaene-29,30-diol-\k^5^<i>N</i>^17^,<i>N</i>^20^,<i>N</i>^23^,<i>O</i>^29^,<i>O</i>^30^]bis(nitrato-\k^2^<i>O</i>,<i>O</i>')europium(III)
 nitrate methanol hemisolvate
;
_journal_coeditor_code           BI2359
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m614
_journal_paper_doi               10.1107/S1600536809013440
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Eu (N O3)2 (C24 H28 Cl2 N6 O2)] N O3, 0.5C H4 O'
_chemical_formula_moiety         'C24 H28 Cl2 Eu N8 O8 +, N O3 -, 0.5C H4 O'
_chemical_formula_sum            'C24.5 H30 Cl2 Eu N9 O11.5'
_chemical_formula_weight         857.44
_chemical_name_systematic
;[13,27-Dichloro-3,6,9,17,20,23-
hexaazatetracyclo[23.3.1.1^11,15^.0^2,6^]triaconta-
1(29),9,11,13,15(30),16,23,25,27-nonaene-29,30-diol-
\k^5^<i>N</i>^17^,<i>N</i>^20^,<i>N</i>^23^,<i>O</i>^29^,<i>O</i>^30^]
bis(nitrato-\k^2^<i>O</i>,<i>O</i>')europium(III)
 nitrate methanol hemisolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 91.8040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.7371(16)
_cell_length_b                   14.3327(10)
_cell_length_c                   19.3880(13)
_cell_measurement_reflns_used    8071
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.6
_cell_volume                     6592.9(8)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0161
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18638
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.98
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.136
_exptl_absorpt_correction_T_max  0.66
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3432
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.368
_refine_diff_density_min         -0.807
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         6469
_refine_ls_number_restraints     62
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0424P)^2^+14.6115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                5337
_reflns_number_total             6469
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2359.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2221909
_cod_database_fobs_code          2221909