Linear MgCp*<sub>2</sub> vs Bent CaCp*<sub>2</sub>: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions.
Pal, Rumpa; Mebs, Stefan; Shi, Ming W.; Jayatilaka, Dylan; Krzeszczakowska, Joanna M.; Malaspina, Lorraine A.; Wiecko, Michal; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Beckmann, Jens; Grabowsky, Simon; Inorganic chemistry 57 (2018) 4906–4920; doi:10.1021/acs.inorgchem.7b03079

data_4349449
_publ_contact_author
;
  Prof. Dr. Simon Grabowsky
  Universit&#x00E4;t Bremen
  Fachbereich 2 - Biologie/Chemie
  Institut f&#x00FC;r Anorganische Chemie und Kristallographie
  Leobener Str. NW 2, A4036
  28359 Bremen
  Germany
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_publ_section_title
;
 Linear MgCp*<sub>2</sub> vs Bent CaCp*<sub>2</sub>: London Dispersion,
 Ligand-Induced Charge Localizations, and Pseudo-Pregostic
 C-H&#x00B7;&#x00B7;&#x00B7;Ca Interactions.
;
_journal_issue                   9
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_journal_paper_doi               10.1021/acs.inorgchem.7b03079
_journal_volume                  57
_journal_year                    2018
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     '-p 2ybc'
_cod_original_sg_symbol_H-M      'p 1 21/c 1'
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_qcr_software_platform           Linux-4.4.0-81-generic
_qcr_software_build_date         '2017-10-17 11:24'
_qcr_software_website            https://github.com/dylan-jayatilaka/tonto