A trinuclear chromium(iii) chlorocarbyne.
Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko; Chemical communications (Cambridge, England) 57 (2021) 5199–5202; doi:10.1039/d1cc01514a

data_7128217
_publ_section_title
;
 A trinuclear chromium(iii) chlorocarbyne.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5199
_journal_page_last               5202
_journal_paper_doi               10.1039/d1cc01514a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C25 H48 Cl7 Cr3 O6'
_chemical_formula_sum            'C25 H48 Cl7 Cr3 O6'
_chemical_formula_weight         848.78
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
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2021-03-17 deposited with the CCDC.	2021-04-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.951(4)
_cell_angle_gamma                90
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_cell_length_b                   18.184(5)
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'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
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'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
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'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device
;
AFC11 (Right): Eulerian 3 circle
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_diffrn_measurement_device_type
;
Rigaku Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       'profile data from \w-scans'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    1.473
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_exptl_absorpt_process_details
;
Jacobson, R. (1998). REQAB. Private communication to the 
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
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'Re-crystallisation from solvent: THF/hexane'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0777
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0704P)^2^+6.8293P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1753
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6940
_reflns_number_total             8088
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc01514a2.cif
_cod_data_source_block           Cr3CCl_monoclinic
_cod_depositor_comments
'Adding full bibliography for 7128214--7128217.cif.'
_cod_database_code               7128217
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.971
_shelx_estimated_absorpt_t_min   0.867
_olex2_submission_special_instructions 'No special instructions were received'