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_7236430
_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            'C138 H96 Cl4 I8 N22 O4 Zn4'
_chemical_formula_weight         3544.85
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-02-24 deposited with the CCDC.
2016-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 91.616(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   11.166(4)
_cell_length_b                   14.692(5)
_cell_length_c                   21.336(8)
_cell_measurement_reflns_used    2064
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.01
_cell_measurement_theta_min      2.36
_cell_volume                     3499(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_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  0.1296
_diffrn_reflns_av_sigmaI/netI    0.1164
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25158
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    2.578
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1722
_refine_diff_density_max         1.849
_refine_diff_density_min         -2.242
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         6469
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1968
_refine_ls_R_factor_gt           0.0962
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1770P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2745
_refine_ls_wR_factor_ref         0.3171
_reflns_number_gt                2846
_reflns_number_total             6469
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6tb01202g2.cif
_cod_data_source_block           151129c_0m
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7236430