Cr(NAr)(O)(NPri2)(Ar): a strongly-bent monoimido complex resulting from nitrosyl ligand cleavage
Jandciu, Eric W.; Legzdins, Peter; McNeil, W. Stephen; Patrick, Brian O.; Smith, Kevin M.; Chemical Communications  (2000) 1809–; doi:10.1039/b004340k

data_7115116
_publ_section_title
;
 Cr(NAr)(O)(NPri2)(Ar): a strongly-bent monoimido complex resulting from
 nitrosyl ligand cleavage
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              1809
_journal_paper_doi               10.1039/b004340k
_journal_year                    2000
_chemical_formula_moiety         'C20 H28 Cr N2 O '
_chemical_formula_sum            'C20 H28 Cr N2 O'
_chemical_formula_weight         364.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2000-05-24
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                90
_cell_angle_beta                 107.730(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.822(1)
_cell_length_b                   7.7784(6)
_cell_length_c                   17.655(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1938.8(2)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR97 (Altomare, et. al. 1998)
;
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 11.76
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
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_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.07440
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         3.38
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.598
_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_correction_type   none
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         3388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0884
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.1335
_reflns_number_gt                3388
_reflns_number_total             3650
_reflns_threshold_expression     I>0.00\s(I)
_cod_data_source_file            b004340k.txt
_cod_data_source_block           pl201
_cod_depositor_comments
;
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 
;
_cod_original_cell_volume        1938.7(2)
_cod_original_sg_symbol_H-M      'P 21/a     '
_cod_original_formula_sum        'C20 H28 Cr N2 O '
_cod_database_code               7115116