Heterocyclic arsinocarbynes via tandem transmetallation.
Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.; Chemical communications (Cambridge, England) 57 (2021) 8770–8773; doi:10.1039/d1cc03015a

data_7128787
_publ_section_title
;
 Heterocyclic arsinocarbynes via tandem transmetallation.
;
_journal_issue                   70
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8770
_journal_page_last               8773
_journal_paper_doi               10.1039/d1cc03015a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C46 H42 As B N6 O2 W, 0.5(C6 H14)'
_chemical_formula_sum            'C49 H49 As B N6 O2 W'
_chemical_formula_weight         1023.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
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_atom_sites_solution_hydrogens   mixed
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Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
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_audit_update_record
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2021-04-09 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.0(2)
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_diffrn_measurement_device_type  'ADSC Quantum 210r'
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_exptl_absorpt_correction_T_min  0.2993
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_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0912P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1571
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_reflns_number_gt                6266
_reflns_number_total             8947
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           WCAsC4Ph4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7128785--7128788.cif.
;
_cod_original_cell_volume        8942(4)
_cod_database_code               7128787
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H15(0.068) H24(0.071) H13(0.069) H9(0.071) H12(0.072) H31(0.078)
 H34(0.075) H44(0.072) H11(0.075) H37A(0.095) H37B(0.095) H37C(0.095)
 H39(0.071) H16(0.081) H32A(0.103) H32B(0.103) H32C(0.103) H42A(0.099)
 H42B(0.099) H42C(0.099) H46A(0.101) H46B(0.101) H46C(0.101) H27(0.067)
 H10(0.071) H36A(0.098) H36B(0.098) H36C(0.098) H41A(0.092) H41B(0.092)
 H41C(0.092) H23(0.081) H28(0.074) H30(0.092) H19(0.078) H17(0.089) H29(0.085)
 H20(0.076) H22(0.087) H18(0.089) H21(0.099) H49A(0.121) H49B(0.121)
 H47A(0.179) H47B(0.179) H47C(0.179) H48A(0.143) H48B(0.143)
 Fixed X: H15(0.320913) H24(0.406129) H13(0.23917) H9(0.270056) H12(0.172255)
 H31(0.380208) H34(0.455047) H44(0.380304) H11(0.153421) H37A(0.26108)
 H37B(0.231611) H37C(0.279506) H39(0.215021) H16(0.304397) H32A(0.430781)
 H32B(0.470399) H32C(0.465675) H42A(0.408794) H42B(0.390142) H42C(0.360745)
 H46A(0.330852) H46B(0.369502) H46C(0.376577) H27(0.460209) H10(0.202917)
 H36A(0.406971) H36B(0.415653) H36C(0.369611) H41A(0.266639) H41B(0.224212)
 H41C(0.264193) H23(0.455325) H28(0.516191) H30(0.436288) H19(0.321483)
 H17(0.296619) H29(0.504555) H20(0.409584) H22(0.478968) H18(0.303816)
 H21(0.458521) H49A(0.478924) H49B(0.527339) H47A(0.451848) H47B(0.482821)
 H47C(0.47025) H48A(0.536705) H48B(0.517248)
 Fixed Y: H15(0.436157) H24(0.814166) H13(0.623762) H9(0.74446) H12(0.577422)
 H31(1.115949) H34(1.047342) H44(0.390845) H11(0.611542) H37A(0.981337)
 H37B(1.076592) H37C(1.110899) H39(0.967526) H16(0.229002) H32A(1.175765)
 H32B(1.171183) H32C(1.067823) H42A(0.623896) H42B(0.479638) H42C(0.601635)
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 H17(0.199918) H29(1.180128) H20(0.501787) H22(0.500195) H18(0.38055)
 H21(0.397088) H49A(1.425852) H49B(1.416351) H47A(1.631335) H47B(1.748062)
 H47C(1.719427) H48A(1.63938) H48B(1.547774)
 Fixed Z: H15(0.490567) H24(0.71033) H13(0.46968) H9(0.367794) H12(0.378266)
 H31(0.572722) H34(0.341817) H44(0.38824) H11(0.281) H37A(0.342636)
 H37B(0.284624) H37C(0.337681) H39(0.18434) H16(0.504425) H32A(0.433953)
 H32B(0.439403) H32C(0.47631) H42A(0.504211) H42B(0.486083) H42C(0.46738)
 H46A(0.23302) H46B(0.281921) H46C(0.265172) H27(0.663668) H10(0.276197)
 H36A(0.250042) H36B(0.235401) H36C(0.204481) H41A(0.13297) H41B(0.111193)
 H41C(0.147019) H23(0.807018) H28(0.712709) H30(0.619619) H19(0.623303)
 H17(0.577897) H29(0.688816) H20(0.624222) H22(0.812404) H18(0.636269)
 H21(0.720879) H49A(0.444704) H49B(0.501995) H47A(0.373723) H47B(0.392145)
 H47C(0.432967) H48A(0.481161) H48B(0.422482)
;
_shelx_res_checksum              98992
_olex2_submission_special_instructions 'No special instructions were received'