A two-photon fluorescent RNA probe screened from a series of oxime-functionalized 2,2′:6′,2′′-terpyridine ZnX2(X = Cl, Br, I) complexes
Wang, Hui; Tian, Xiaohe; Du, Wei; Zhang, Qiong; Guan, Lijuan; Wang, Aidong; Zhang, Yujin; Wang, Chuankui; Zhou, Hongping; Wu, Jieying; Tian, Yupeng; Journal of Materials Chemistry B 4 (2016) 4818–; doi:10.1039/C6TB01202G

data_7236428
_publ_section_title
;
 A two-photon fluorescent RNA probe screened from a series of
 oxime-functionalized 2,2&#x2032;:6&#x2032;,2&#x2032;&#x2032;-terpyridine
 ZnX2(X = Cl, Br, I) complexes
;
_journal_issue                   28
_journal_name_full               'Journal of Materials Chemistry B'
_journal_page_first              4818
_journal_paper_doi               10.1039/C6TB01202G
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C35 H27 Br2 Cl2 N5 O Zn'
_chemical_formula_weight         829.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-02-24 deposited with the CCDC.
2016-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 91.805(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.057(5)
_cell_length_b                   14.625(5)
_cell_length_c                   21.079(5)
_cell_measurement_reflns_used    6615
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.59
_cell_measurement_theta_min      2.31
_cell_volume                     3407(2)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23690
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.695
_exptl_absorpt_coefficient_mu    3.260
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_description       block
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.341
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         5963
_refine_ls_number_restraints     133
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1749P)^2^+0.5403P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2269
_refine_ls_wR_factor_ref         0.2453
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4338
_reflns_number_total             5963
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6tb01202g2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7236428
_shelx_estimated_absorpt_t_min   0.441
_shelx_estimated_absorpt_t_max   0.562
_shelxl_version_number           2013-2
_shelx_res_checksum              76848