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Information card for entry 4063213
Preview
Coordinates | 4063213.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | {(C5Me5)Ir2B4H10 |
---|---|
Formula | C20 H40 B4 Ir2 |
Calculated formula | C20 H40 B4 Ir2 |
SMILES | [BH]123[BH2][IrH]456782([H]1)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)[BH]1([BH2]2)[H][IrH]45673812[c]1([c]4([c]5([c]6([c]71C)C)C)C)C |
Title of publication | Utilization of Transition-Metal Properties To Control Polyborane Formation. Synthesis of the arachno-Diiridahexaborane(12) 2,5-{Cp*IrH}2B4H8 and Its Conversion to the nido-Diiridahexaborane(10) 1,2-{Cp*Ir}2(-H)B4H7 (Cp* =5-C5Me5) |
Authors of publication | Xinjian Lei; Maoyu Shang; Thomas P. Fehlner |
Journal of publication | Organometallics |
Year of publication | 2000 |
Journal volume | 19 |
Pages of publication | 118 - 120 |
a | 8.7599 ± 0.0007 Å |
b | 8.7599 ± 0.0007 Å |
c | 30.4203 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2334.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0498 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for all reflections | 0.1003 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Goodness-of-fit parameter for all reflections | 1.112 |
Goodness-of-fit parameter for significantly intense reflections | 1.132 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178527 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/32. |
4063213.cif |
134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4063213.cif |
130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4063213.cif |
129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4063213.cif |
120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4063213.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063213.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4063213.cif |
21 | 2008-01-26 | Replacing all my collected files in COD with a newly regenerated CIF files that now have correct syntax. |
4063213.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4063213.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4063213.cif |
5 | 2008-01-03 | Adding 507 CIF files deposited into COD today, on 2008.01.03. |
4063213.cif |
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