Crystallography Open Database

Information card for entry 4318220

Preview

Coordinates	4318220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H24 Cl2 O22 Os6 P4
Calculated formula	C48 H24 Cl2 O22 Os6 P4
SMILES	ClCCl.[Os]1([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P]1(P([P]([Os]2([Os]([Os]2(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(P(C1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
Title of publication	1,2,3,4-Tetraphenyl-1,2,3,4-tetraphospholane, a Highly Versatile Cyclocarbaphosphine Ligand: Reactions with Activated Triosmium Clusters and Characterization of the Products
Authors of publication	Siau-Gek Ang; Zhong; How-Ghee Ang
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3791 - 3800
a	29.6352 ± 0.0007 Å
b	16.3231 ± 0.0003 Å
c	12.3117 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5955.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318220.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 {}'	4318220.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318220.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318220.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4318220.cif
14522	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318220 via cif-deposit CGI script.	4318220.cif