Coordination and supramolecular assembly of {Cd2Ge8V12O48} building block and cucurbit[6] to form rotaxane-shaped hybrids.
Wei, Mei-Jie; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Song, Bai-Qiao; Wang, Xin-Long; Su, Zhong-Min; Dalton transactions (Cambridge, England : 2003) 45 (2016) 4989–4992; doi:10.1039/c6dt00496b

data_7038581
_publ_section_title
;
 Coordination and supramolecular assembly of {Cd2Ge8V12O48} building block
 and cucurbit[6] to form rotaxane-shaped hybrids.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4989
_journal_page_last               4992
_journal_paper_doi               10.1039/c6dt00496b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C58 H180 Cd8 Ge16 N46 O128 V24'
_chemical_formula_weight         6853.67
_chemical_name_systematic
;
 ?
;
_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
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-01-27 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                87.927(5)
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_cell_angle_gamma                75.801(5)
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_cell_length_b                   12.685(5)
_cell_length_c                   30.441(5)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      1.656
_cell_volume                     4647(3)
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.1001
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_diffrn_reflns_Laue_measured_fraction_max 0.997
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_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            26717
_diffrn_reflns_point_group_measured_fraction_full 0.971
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_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.656
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.694
_exptl_absorpt_correction_T_max  0.326
_exptl_absorpt_correction_T_min  0.308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/4 Bruker AXS Madison WI USA'
_exptl_crystal_colour            brown
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.240
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_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0974
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0760P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1526
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10735
_reflns_number_total             16334
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00496b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7038581--7038582.cif.'
_cod_database_code               7038581
_shelx_estimated_absorpt_t_min   0.307
_shelx_estimated_absorpt_t_max   0.324
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_shelx_res_checksum              42559