Crystallography Open Database

Information card for entry 4300273

Preview

Coordinates	4300273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 F6 N2 O P2 Ru
Calculated formula	C38 H50 F6 N2 O P2 Ru
SMILES	[Ru]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(F)([NH]=C(Nc1ccccc1)c1c(F)c(F)c(F)c(F)c1F)C#[O]
Title of publication	Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds
Authors of publication	Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2895 - 2907
a	9.0368 ± 0.0005 Å
b	20.069 ± 0.001 Å
c	21.0286 ± 0.001 Å
α	90°
β	98.292 ± 0.001°
γ	90°
Cell volume	3773.9 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Duplicate of	4300796
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210166 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300273-4300276, 4300796-4300799. Marking entries 4300273-4300276 as duplicates of entries 4300796-4300799.	4300273.cif
179040	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/02.	4300273.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300273.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.	4300273.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4300273.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300273.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300273.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.	4300273.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300273.cif