Chromium-Catalyzed CO2‒Epoxide Copolymerization
Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert; Organometallics 33 (2014) 4401–; doi:10.1021/om5005644

data_4084265
_publ_section_title
;
 Chromium-Catalyzed CO2--Epoxide Copolymerization
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4401
_journal_paper_doi               10.1021/om5005644
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C27 H37 Cr N6'
_chemical_formula_weight         497.63
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
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_atom_sites_solution_primary     direct
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_cell_length_c                   22.5005(15)
_cell_measurement_reflns_used    7046
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      20.11
_cell_measurement_theta_min      2.24
_cell_volume                     5558.2(6)
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_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
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_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_theta_max         22.04
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.436
_exptl_absorpt_correction_T_max  0.9701
_exptl_absorpt_correction_T_min  0.9335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0906P)^2^+9.8920P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1649
_refine_ls_wR_factor_ref         0.1963
_reflns_number_gt                2082
_reflns_number_total             3398
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5005644_si_001.cif
_cod_data_source_block           sg299
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' 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 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4084265