Guest dependent structure and acetone sensing properties of a 2D Eu3+ coordination polymer
Zhao, Meng; Yao, Zhao-Quan; Xu, Yue-Ling; Chang, Ze; Bu, Xian-He; RSC Adv. 7 (2017) 2258–; doi:10.1039/C6RA25681C

data_7227427
_publ_section_title
;
 Guest dependent structure and acetone sensing properties of a 2D Eu3+
 coordination polymer
;
_journal_issue                   4
_journal_name_full               'RSC Adv.'
_journal_page_first              2258
_journal_paper_doi               10.1039/C6RA25681C
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C30 H22 Eu N O9'
_chemical_formula_weight         692.45
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    ', Light-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1lmnrm
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-08-25 deposited with the CCDC.
2016-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                104.260(4)
_cell_angle_beta                 96.594(2)
_cell_angle_gamma                97.594(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5960(15)
_cell_length_b                   13.277(2)
_cell_length_c                   15.277(3)
_cell_measurement_reflns_used    6283
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1847.7(5)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      113
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  Rigaku
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23534
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.633
_diffrn_reflns_theta_min         3.142
_exptl_absorpt_coefficient_mu    1.740
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_description       prism
_exptl_crystal_F_000             688
_exptl_crystal_preparation       ', Luminescent'
_refine_diff_density_max         3.279
_refine_diff_density_min         -1.491
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         8351
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+4.2960P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.0999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7766
_reflns_number_total             8351
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra25681c2.cif
_cod_data_source_block           1_sqd
_cod_database_code               7227427
_shelxl_version_number           2014-3
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              15600