Impact of ether coordination on the solid-state luminescence of a lithium β-diketiminate complex.
Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki; Dalton transactions (Cambridge, England : 2003) 54 (2025) 9219–9225; doi:10.1039/d5dt00954e

data_7718758
_publ_section_title
;
 Impact of ether coordination on the solid-state luminescence of a lithium
 &#x3b2;-diketiminate complex.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9219
_journal_page_last               9225
_journal_paper_doi               10.1039/d5dt00954e
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C43 H53 Li N2 O'
_chemical_formula_sum            'C43 H53 Li N2 O'
_chemical_formula_weight         620.81
_space_group_crystal_system      triclinic
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Olex2 1.5
(compiled 2024.01.12 svn.r2f8d729c for OlexSys, GUI svn.r6928)
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2025-04-03 deposited with the CCDC.	2025-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                84.102(18)
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_computing_cell_refinement
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CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
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CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
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CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
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_diffrn_ambient_temperature      150
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_diffrn_measurement_details
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 45.0039
	          2theta: -20.0252
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 45.0039
	          2theta: -20.0252
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AFC10: Fixed Chi 2 circle
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Rigaku Saturn724+ (4x4 bin mode)
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_diffrn_measurement_method       'profile data from \w-scans'
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_exptl_absorpt_coefficient_mu    0.064
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_exptl_crystal_density_diffrn    1.105
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0593P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            d5dt00954e2.cif
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_cod_depositor_comments
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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 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7718756--7718759.cif.
;
_cod_original_cell_volume        1866.6(12)
_cod_database_code               7718758
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C34(H34), C22(H22), C37(H37), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C43(H43A,H43B), C40(H40A,H40B), C42(H42A,H42B), C41(H41A,H41B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C30(H30), C5(H5), C15(H15), C11(H11), C9(H9), C31(H31), C14(H14),
 C18(H18), C32(H32), C6(H6), C13(H13), C20(H20), C19(H19), C8(H8), C7(H7),
 C12(H12)
2.d Idealised Me refined as rotating group:
 C35(H35A,H35B,H35C), C23(H23A,H23B,H23C), C39(H39A,H39B,H39C), C38(H38A,H38B,
 H38C), C36(H36A,H36B,H36C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C)
;
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_olex2_submission_special_instructions 'No special instructions were received'