Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.
Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen; Chemical communications (Cambridge, England) 56 (2020) 3979–3982; doi:10.1039/d0cc00500b

data_7126084
_publ_section_title
;
 Understanding a pentagonal-bipyramidal holmium(iii) complex with a record
 energy barrier for magnetisation reversal.
;
_journal_issue                   28
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3979
_journal_page_last               3982
_journal_paper_doi               10.1039/d0cc00500b
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C31 H43 N5 O2 Si2 Y, C24 H20 B'
_chemical_formula_sum            'C55 H63 B N5 O2 Si2 Y'
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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2019-10-31 deposited with the CCDC.	2020-03-02 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_monochromator  graphite
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'w=1/[\s^2^(Fo^2^)+(0.0371P)^2^+2.2761P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7126084--7126087.cif.'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C39(H39), C21(H21), C45(H45), C43(H43), C49(H49), C16(H16), C27(H27),
 C42(H42), C20(H20), C31(H31), C55(H55), C33(H33), C22(H22), C40(H40), C7(H7),
 C24(H24), C41(H41), C48(H48), C11(H11), C23(H23), C30(H30), C8(H8), C19(H19),
 C46(H46), C26(H26), C15(H15), C51(H51), C28(H28), C17(H17), C12(H12), C54(H54),
  C37(H37), C29(H29), C47(H47), C25(H25), C9(H9), C18(H18), C53(H53), C10(H10),
 C34(H34), C14(H14), C36(H36), C35(H35), C52(H52), C13(H13)
2.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C1(H1A,H1B,H1C), C6(H6A,
 H6B,H6C), C2(H2A,H2B,H2C)
;
_shelx_res_checksum              18987
_olex2_submission_special_instructions 'No special instructions were received'