From cyanate to cyanurate: cyclotrimerization reactions towards the novel family of metal cyanurates.
Kalmutzki, Markus; Ströbele, Markus; Meyer, H-Jürgen; Dalton transactions (Cambridge, England : 2003) 42 (2013) 12934–12939; doi:10.1039/c3dt51002f

data_7023206
_publ_section_title
;
 From cyanate to cyanurate: cyclotrimerization reactions towards the novel
 family of metal cyanurates.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12934
_journal_page_last               12939
_journal_paper_doi               10.1039/c3dt51002f
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C3 N3 O3, Sr, Li'
_chemical_formula_sum            'C3 Li N3 O3 Sr'
_chemical_formula_weight         220.62
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.09(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.662(2)
_cell_length_b                   6.8070(10)
_cell_length_c                   12.447(3)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      51.9
_cell_measurement_theta_min      6.7
_cell_volume                     962.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0421
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4548
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.49
_exptl_absorpt_coefficient_mu    11.133
_exptl_absorpt_correction_T_max  0.5351
_exptl_absorpt_correction_T_min  0.2860
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE X-Red/X-Shape'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.045
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0200
_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^)+(0.0269P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0429
_reflns_number_gt                714
_reflns_number_total             833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51002f_2.cif
_cod_data_source_block           e:\kali\mk123_4m\abs\mk123_4m
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7023206