Two scandium coordination polymers: rapid synthesis and catalytic properties
Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong; CrystEngComm 21 (2019) 5261–; doi:10.1039/C9CE00969H

data_7233231
_publ_section_title
;
 Two scandium coordination polymers: rapid synthesis and catalytic
 properties
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              5261
_journal_paper_doi               10.1039/C9CE00969H
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C15 H10 N5 O9 Sc'
_chemical_formula_weight         449.24
_chemical_properties_physical    catalysis
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-17 deposited with the CCDC.    2019-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                79.068(5)
_cell_angle_beta                 69.577(4)
_cell_angle_gamma                65.464(4)
_cell_formula_units_Z            4
_cell_length_a                   12.1982(9)
_cell_length_b                   12.6561(10)
_cell_length_c                   17.4615(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_volume                     2295.0(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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD'
_diffrn_measurement_method       \w
_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  0.0541
_diffrn_reflns_av_sigmaI/netI    0.1571
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13126
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.371
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             912
_exptl_crystal_recrystallization_method ' Hydrothermal'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_platon_squeeze_details
;
;
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.809
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         8125
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.810
_refine_ls_R_factor_all          0.1226
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                3451
_reflns_number_total             8125
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ce00969h2.cif
_cod_data_source_block           g
_cod_depositor_comments
'Adding full bibliography for 7233231--7233232.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233231