Structural aesthetics in molecular nanoscience: a unique Ni26 cluster with a 'rabbit-face' topology and a discrete Ni18 'molecular chain'
Angeliki A. Athanasopoulou; Melanie Pilkington; Catherine P. Raptopoulou; Albert Escuer; Theocharis C. Stamatatos; Chem.Commun. 50 (2014) 14942–; doi:10.1039/C4cc07192A

data_7116016
_publ_section_title
;
 Structural aesthetics in molecular nanoscience: a unique Ni26 cluster
 with a 'rabbit-face' topology and a discrete Ni18 'molecular chain'
;
_journal_name_full               Chem.Commun.
_journal_page_first              14942
_journal_paper_doi               10.1039/C4cc07192A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C210 H211 Cl12 N25 Ni18 O64'
_chemical_formula_weight         5591.22
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.197(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.4420(19)
_cell_length_b                   21.0741(17)
_cell_length_c                   52.993(5)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.81
_cell_measurement_theta_min      2.65
_cell_volume                     25063(4)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0832
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_diffrn_reflns_limit_h_max       26
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_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            green
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.08
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.143
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_refine_ls_R_factor_all          0.1230
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0935P)^2^+474.3330P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               7116016