Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests
Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.; Chem. Sci. 6 (2015) 3533–; doi:10.1039/C5SC01083G

data_1519435
_publ_section_title
;
 Mutual stabilisation between MII4L6tetrahedra and MIIX42&#x2212;metallate
 guests
;
_journal_issue                   6
_journal_name_full               'Chem. Sci.'
_journal_page_first              3533
_journal_paper_doi               10.1039/C5SC01083G
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C390 H330 Br N60 Zn10, 19(Cl O4)'
_chemical_formula_sum            'C390 H330 Br Cl19 N60 O76 Zn10'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_Hall  '-P 2yac'
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2015-02-03 deposited with the CCDC.
2015-04-14 downloaded from the CCDC.
;
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;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
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CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
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CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
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'Rigaku Saturn 724+ detector on Crystal Logic diffractometer'
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'Re-crystallisation from solvent: acetonitrile. diethyl ether'
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;
;
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_refine_ls_R_factor_all          0.1667
_refine_ls_R_factor_gt           0.1249
_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^)+(0.2000P)^2^+150.0000P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7352
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           iar810a
_cod_depositor_comments
'Adding full bibliography for 1519432--1519435.cif.'
_cod_database_code               1519435
_shelx_estimated_absorpt_t_min   0.992
_shelx_estimated_absorpt_t_max   0.992
_shelxl_version_number           2013-2
_shelx_res_checksum              93013
_shelx_hkl_checksum              89790