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_7233232
_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            'C7 H5 N2 O8 Sc'
_chemical_formula_weight         290.09
_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                67.896(4)
_cell_angle_beta                 77.329(5)
_cell_angle_gamma                87.356(4)
_cell_formula_units_Z            2
_cell_length_a                   8.0179(5)
_cell_length_b                   8.1281(6)
_cell_length_c                   10.1235(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_volume                     595.89(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3361
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.652
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangle
_exptl_crystal_F_000             292
_exptl_crystal_recrystallization_method 'Hydrothermal and Microwave'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_platon_squeeze_details
;
;
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         2087
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0490P)^2^+0.4869P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                1840
_reflns_number_total             2087
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ce00969h2.cif
_cod_data_source_block           zzq
_cod_depositor_comments
'Adding full bibliography for 7233231--7233232.cif.'
_cod_original_cell_volume        595.89(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233232