Sugar-Metal Ion Interactions: The Complicated Coordination Structures of Cesium Ion with d-Ribose and myo-Inositol
Haijian Hu; Junhui Xue; Xiaodong Wen; Weihong Li; Chao Zhang; Limin Yang; Yizhuang Xu; Guozhong Zhao; Xiaoxia Bu; Kexin Liu; Jia'er Chen; Jinguang Wu; Inorganic Chemistry 52 (2013) 13132–13145; doi:10.1021/ic402027j

data_4336735
_publ_contact_author_address
;
State Key Laboratory of Nuclear Physics and Technology
Institute of Heavy Ion Physics
School of Physics
Peking University
Beijing
P.R.China
;
_publ_contact_author_email       yanglm@pku.edu.cn
_publ_contact_author_fax         +86-10-62758849
_publ_contact_author_name        'Limin Yang'
_publ_contact_author_phone       +86-10-62751889
_publ_section_title
;
 Sugar-Metal Ion Interactions: The Complicated Coordination Structures of
 Cesium Ion with d-Ribose and myo-Inositol
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13132
_journal_page_last               13145
_journal_paper_doi               10.1021/ic402027j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C6 H12 Cl Cs O6'
_chemical_formula_weight         348.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.44(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.8047(11)
_cell_length_b                   18.747(2)
_cell_length_c                   8.4936(15)
_cell_measurement_temperature    105(2)
_cell_volume                     1039.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4258
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.31
_exptl_absorpt_coefficient_mu    3.822
_exptl_absorpt_correction_T_max  0.9628
_exptl_absorpt_correction_T_min  0.2509
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.966
_refine_diff_density_min         -1.338
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         2047
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0485
_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^)+(0.0715P)^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         0.1249
_reflns_number_gt                1791
_reflns_number_total             2047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402027j_si_002_1.cif
_cod_data_source_block           exp_1035
_cod_original_cell_volume        1039.3(3)
_cod_database_code               4336735