Sterically induced transmutations in cobalt amine chemistry
Geue, Rodney J.; Jin Qin, C.; Ralph, Stephen F.; Sargeson, Alan M.; Skelton, Brian W.; White, Allan H.; Willis, Anthony C.; Chemical Communications  (1999) 2351–2352; doi:10.1039/a907237c

data_7110708
_publ_section_title
;
 Sterically induced transmutations in cobalt amine chemistry
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   23
_journal_name_full               'Chemical Communications'
_journal_page_first              2351
_journal_page_last               2352
_journal_paper_doi               10.1039/a907237c
_journal_year                    1999
_chemical_formula_moiety         'C25 H54 Co N6, 2(N O3), (H2 O)'
_chemical_formula_sum            'C25 H56 Co N8 O7'
_chemical_formula_weight         639.70
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             1999-09-13
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                90
_cell_angle_beta                 105.31(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.442(3)
_cell_length_b                   17.347(6)
_cell_length_c                   17.830(5)
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_cell_measurement_temperature    296.2
_cell_measurement_theta_max      16.5
_cell_measurement_theta_min      14.0
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_computing_cell_refinement       xtal_LATCON
_computing_data_collection
;
Philips PW1100/20 software 1976
;
_computing_data_reduction        xtal_DIFDAT_ABSORB_ADDREF
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SHELXS86 (Sheldrick, 1985)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Philips PW1100/20'
_diffrn_measurement_method       \w-2\q
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_max       19
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_diffrn_standards_decay_%        2
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;
analytical (de Meulenaer & Tompa, 1965)
;
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_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.000004|Fo|^2^]'
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_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.000004|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.000004|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3115(2)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C25 H56 Co N8 O7 '
_cod_database_code               7110708