A Missing Relative: A Hoveyda‒Grubbs Metathesis Catalyst Bearing a Peri-Substituted Naphthalene Framework
Barbasiewicz, Michał; Grudzień, Krzysztof; Malinska, Maura; Organometallics 31 (2012) 3171–; doi:10.1021/om300052b

data_4078036
_publ_section_title
;
 A Missing Relative: A Hoveyda--Grubbs Metathesis Catalyst Bearing a
 Peri-Substituted Naphthalene Framework
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              3171
_journal_paper_doi               10.1021/om300052b
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C35 H40 Cl2 N2 O Ru'
_chemical_formula_sum            'C35 H40 Cl2 N2 O Ru'
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 ? 
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_cell_length_b                   12.0382(3)
_cell_length_c                   14.8599(4)
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_cell_measurement_temperature    100(2)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.7 (release 14-02-2011 CrysAlis171 .NET)
(compiled Feb 15 2011,09:34:54)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.7 (release 14-02-2011 CrysAlis171 .NET)
(compiled Feb 15 2011,09:34:54)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.7 (release 14-02-2011 CrysAlis171 .NET)
(compiled Feb 15 2011,09:34:54)
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_computing_molecular_graphics    WinGX
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_diffrn_measured_fraction_theta_full 1.000
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2800
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
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_refine_diff_density_max         1.185
_refine_diff_density_min         -0.747
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_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         12035
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0591P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                11300
_reflns_number_total             12035
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300052b_si_002.cif
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_cod_original_sg_symbol_H-M      C2
_cod_database_code               4078036