(Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2”
Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M.; Organometallics 29 (2010) 1897–; doi:10.1021/om901045s

data_4067621
_publ_contact_author
;
        Peter H.M. Budzelaar
        Department of Chemistry
        University of Manitoba
        Winnipeg, MB R3T 2N2
        Canada
;
_publ_section_title
;
 (Py)2Co(CH2SiMe3)2As an Easily Accessible Source of &#x201C;CoR2&#x201D;
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1897
_journal_paper_doi               10.1021/om901045s
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C13 H15 F6 N O5'
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_chemical_name_systematic
;
2,6-bis[1,1-dihydroxy-2,2,2-trifluoroethyl]pyridine
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_audit_creation_date             2006-07-27
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6689(3)
_cell_length_b                   14.6578(8)
_cell_length_c                   17.1651(12)
_cell_measurement_reflns_used    72
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      24.990
_cell_measurement_theta_min      3.280
_cell_volume                     1677.91(17)
_computing_data_collection
;
Nonius "Collect" program suite (Nonius, 1999)
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_computing_data_reduction
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Nonius "EvalCCD" program suite (Duisenberg, 1998)
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PLATON (Spek, 2003)
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CRUNCH (de Gelder et a;., 1993),
;
_diffrn_ambient_temperature      208(2)
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_diffrn_measurement_device       'Nonius KappaCCD'
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_diffrn_radiation_monochromator  graphite
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rather regular thick platelet'
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_refine_ls_weighting_details
;
w=1/[\s^2^(Fo^2^)+(0.0453P)^2^+2.2720P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1446
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_obs         0.1326
_refine_ls_wR_factor_ref         0.1446
_reflns_number_gt                1116
_reflns_number_observed          1116
_reflns_number_total             1531
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om901045s_si_002.cif
_cod_data_source_block           FEMKE7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (17
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (23 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4067621