[Cr(pincer<sup>2-</sup>)]<sub>2</sub> as an electron shuttle for reductively promoted hydrazine disproportionation.
Labrum, Nicholas S.; Caulton, Kenneth G.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11642–11646; doi:10.1039/c9dt02300c

data_7700567
_publ_section_title
;
 [Cr(pincer<sup>2-</sup>)]<sub>2</sub> as an electron shuttle for
 reductively promoted hydrazine disproportionation.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11642
_journal_page_last               11646
_journal_paper_doi               10.1039/c9dt02300c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C65 H86 Cr2 N14 O1'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   difmap
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_audit_creation_date             2018-08-03
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_audit_update_record
;
2019-03-27 deposited with the CCDC.    2019-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_b                   15.4878(16)
_cell_length_c                   26.500(3)
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_cell_measurement_theta_max      11
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_computing_cell_refinement       'USER DEFINED CELL REFINEMENT'
_computing_data_collection       'USER DEFINED DATA COLLECTION'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' Pilatus1M(CdTe) pixel array detector'
_diffrn_detector_type            'CMOS pixel array detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'huber three-circle diffractometer'
_diffrn_measurement_device_type  'Pilatus1M(CdTe) pixel array detector'
_diffrn_measurement_method       '\f scans'
_diffrn_radiation_monochromator  'silicon  1 1 1 and 3 1 1'
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_exptl_crystal_colour            brown
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_exptl_crystal_description       'block fragment'
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_exptl_crystal_size_mid          0.040
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_refine_ls_extinction_method     None
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_refine_ls_number_reflns         11206
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.12P)^2^ +15.09P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2568
_refine_ls_wR_factor_gt          0.2161
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_reflns_limit_h_max              18
_reflns_limit_h_min              -18
_reflns_limit_k_max              18
_reflns_limit_k_min              0
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_reflns_number_gt                7007
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_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   2.98
_oxford_diffrn_Wilson_scale      164.07
_oxford_refine_ls_r_factor_ref   0.1326
_oxford_refine_ls_scale          0.09905(5)
_oxford_reflns_number_all        11207
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 'Data_0m in P2(1)/n'
_cod_data_source_file            c9dt02300c2.cif
_cod_data_source_block           S18013
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Other' changed to 'other'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7700567.cif.
;
_cod_original_cell_volume        6389.3(12)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C65 H86 Cr2 N14 O1'
_cod_database_code               7700567