Guest induced morphological transformation from nanospheres to nanowires by hydrogen bond self-assembly.
Qin, Lijie; Yang, Hong; Qin, Changyuan; Xiang, Zheyuan; Zhang, Mingming; Ding, Liang; Yi, Tao; Yang, Shiping; Dalton transactions (Cambridge, England : 2003) 42 (2013) 4790–4794; doi:10.1039/c3dt32830a

data_7021187
_publ_section_title
;
 Guest induced morphological transformation from nanospheres to nanowires
 by hydrogen bond self-assembly.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4790
_journal_page_last               4794
_journal_paper_doi               10.1039/c3dt32830a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C34 H23 Ir N4 O4'
_chemical_formula_weight         743.80
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_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                 93.8220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.76200(10)
_cell_length_b                   9.7180(2)
_cell_length_c                   38.7815(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3294.87(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            13540
_diffrn_reflns_theta_full        72.65
_diffrn_reflns_theta_max         72.65
_diffrn_reflns_theta_min         5.09
_exptl_absorpt_coefficient_mu    70.710
_exptl_crystal_density_diffrn    4.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3663
_platon_squeeze_details
;
;
_refine_diff_density_max         2.012
_refine_diff_density_min         -1.190
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6348
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0481
_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^)+(0.0600P)^2^+12.3642P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1167
_refine_ls_wR_factor_ref         0.1224
_reflns_number_gt                5534
_reflns_number_total             6348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32830a.txt
_cod_data_source_block           1
_cod_database_code               7021187