Two-dimensional C<sub>60</sub> nano-meshes via crystal transformation.
Lei, Yilong; Wang, Shaoyan; Lai, Zhuangchai; Yao, Xin; Zhao, Yanli; Zhang, Hua; Chen, Hongyu; Nanoscale 11 (2019) 8692–8698; doi:10.1039/c8nr09329f

data_1550539
_publ_section_title
;
 Two-dimensional C<sub>60</sub> nano-meshes via crystal transformation.
;
_journal_issue                   18
_journal_name_full               Nanoscale
_journal_page_first              8692
_journal_page_last               8698
_journal_paper_doi               10.1039/c8nr09329f
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C72 H6 Cl6'
_chemical_formula_weight         1083.47
_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_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-09-27 deposited with the CCDC.
2019-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                70.99(2)
_cell_angle_beta                 75.17(2)
_cell_angle_gamma                63.05(2)
_cell_formula_units_Z            1
_cell_length_a                   9.8783(11)
_cell_length_b                   9.9409(11)
_cell_length_c                   12.3344(14)
_cell_measurement_reflns_used    2892
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.65
_cell_measurement_theta_min      2.33
_cell_volume                     1012.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10599
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.719
_diffrn_reflns_theta_min         1.761
_exptl_absorpt_coefficient_mu    0.484
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            dark-purple
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_description       block
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5188
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.7066P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0949
_refine_ls_wR_factor_ref         0.1068
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3781
_reflns_number_total             5188
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nr09329f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 1550539.cif.'
_cod_database_code               1550539
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              67201