Facile resolution of constrained geometry indenyl-phenoxide ligation.
Turner, Luke E; Thorn, Matthew G; Fanwick, Phillip E; Rothwell, Ian P; Chemical communications (Cambridge, England)  (2003) 1034–1035; doi:10.1039/b212724e

data_7104089
_publ_section_title
;
 Facile resolution of constrained geometry indenyl-phenoxide ligation.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1034
_journal_page_last               1035
_journal_paper_doi               10.1039/b212724e
_journal_year                    2003
_chemical_formula_sum            'C68 H86 O6 Si2 Zr'
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_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
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_cell_angle_gamma                90.00
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_cell_length_c                   25.9127(6)
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_computing_molecular_graphics
; 
ORTEP (Johnson, 1976) 
PLUTON (Spek, 1991) 
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
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_diffrn_reflns_av_R_equivalents  0.076
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_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40505
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_diffrn_reflns_theta_min         5.00
_exptl_absorpt_coefficient_mu    0.257
_exptl_absorpt_correction_T_max  0.9684
_exptl_absorpt_correction_T_min  0.4796
_exptl_absorpt_correction_type   multi-scan_(Otwinowski_&_Minor,_
_exptl_crystal_colour            colorless
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_exptl_crystal_description       needle
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'Flack H. D. (1983), Acta Cryst. A39, 876-881'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[\s^2^(Fo^2^)+(0.0423P)^2^+9.6460P] where P=(Fo^2^+2Fc^2^)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.136
_reflns_Friedel_coverage         0.8976
_reflns_number_gt                12110
_reflns_number_total             12567
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            b212724e.txt
_cod_data_source_block           LTZRBN
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C68 H86 O6 Si2 Zr1'
_cod_database_code               7104089
_cod_duplicate_entry 7113885