Crystallography Open Database

Information card for entry 7001976

7001975 << 7001976 >> 7001977

Preview

Coordinates	7001976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H46 Cl2 N4 O10 Ru4
Calculated formula	C57 H46 Cl2 N4 O10 Ru4
Title of publication	Reactions of indenyl-functionalized imidazolium salts and N-heterocyclic carbenes with Ru3(CO)12
Authors of publication	Zhang, Congying; Luo, Feng; Cheng, Bin; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	35
Pages of publication	7230 - 7235
a	41.675 ± 0.019 Å
b	8.032 ± 0.004 Å
c	16.143 ± 0.007 Å
α	90°
β	100.753 ± 0.005°
γ	90°
Cell volume	5309 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209598 (current)	2018-08-12	cif/7/ Updating bibliography in entries 7001973-7001976, 7030541-7030544. Marking entries 7030541-7030544 as duplicates of entries 7001973-7001976.	7001976.cif
179717	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/19.	7001976.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7001976.cif
120435	2014-07-15	cif/ (saulius@koala.ibt.lt) Restoring full bibliographies for the 310 COD entries with recently added DOIs (DOIs were generated automatically from the source file names). Mnay (most? all?) of these entries will probably be duplicates of later added ones, so this needs to be checked extra.	7001976.cif
120433	2014-07-15	cif/ (saulius@koala.ibt.lt) Correcting bibliographies and inserting DOIs for 310 COD entries that had bibliographies wrong, apparently because of the bug in the COD depositions system of the time when they were deposited (the bug is fixed since then; the buggy deposition system would take bibliographies from the previous deposited entry if the bibliography for a new entry wa missing). The DOIs for these entries were restored by synthesising them from the source file names.	7001976.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001976.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7001976.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001976.cif