Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal-organic frameworks.
Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.; Petrova, Margarita I.; Trofimov, Pavel; Mezenov, Yuri A.; Ubyivovk, Evgeniy V.; Lönnecke, Peter; Nominé, Alexandre; Ghanbaja, Jaafar; Belmonte, Thierry; Milichko, Valentin A.; Nanoscale 11 (2019) 10155–10159; doi:10.1039/c9nr02167a

data_1550890
_publ_section_title
;
 Laser printing of optically resonant hollow crystalline carbon
 nanostructures from 1D and 2D metal-organic frameworks.
;
_journal_issue                   21
_journal_name_full               Nanoscale
_journal_page_first              10155
_journal_page_last               10159
_journal_paper_doi               10.1039/c9nr02167a
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C18 H25 Cu N5 O8'
_chemical_formula_weight         502.97
_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   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-01-30 deposited with the CCDC.    2019-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                66.490(4)
_cell_angle_beta                 85.829(4)
_cell_angle_gamma                85.602(4)
_cell_formula_units_Z            2
_cell_length_a                   9.2542(4)
_cell_length_b                   10.2760(5)
_cell_length_c                   12.6302(5)
_cell_measurement_reflns_used    2412
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      25.8860
_cell_measurement_theta_min      2.7540
_cell_volume                     1096.97(9)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics
;
 ORTEP3 for Windows
 L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.
 or
 DIAMOND Version 3.2k
 K. Brandenburg, Crystal Impact GbR, Bonn, Germany
;
_computing_publication_material
;
 WINGX
 L.J. Farrugia,
 J. Appl. Cryst., 2012, 45, 849-854.
;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    SHELXT-2014-5
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.3560
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0778
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10740
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        26.375
_diffrn_reflns_theta_max         29.263
_diffrn_reflns_theta_min         2.164
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear intense blue'
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_description       prism
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.604
_refine_diff_density_min         -0.622
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         5033
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0629
_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^)+(0.0856P)^2^+0.9752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1534
_refine_ls_wR_factor_ref         0.1757
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3489
_reflns_number_total             5033
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nr02167a2.cif
_cod_data_source_block           Cu-PBE
_cod_depositor_comments
'Adding full bibliography for 1550890--1550891.cif.'
_cod_database_code               1550890
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              98590