Crystallography Open Database

Information card for entry 4073027

Preview

Coordinates	4073027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 Co2 Mo O7 P
Calculated formula	C26 H17 Co2 Mo O7 P
SMILES	[Mo]1234567([Co]8([Co]1(C#[O])(C#[O])(C#[O])C28C)([P]([c]13[cH]4[cH]5[cH]6[cH]71)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
Title of publication	Synthesis and Structural Characterization of the μ-η1:η5-Ph2PC5H4Ligand-Containing Transition-Metal Cluster and Dinuclear Complexes (μ-η1:η5-Ph2PC5H4)(μ3-S)MFeCo(CO)7(M = Mo, W), (μ-η1:η5-Ph2PC5H4)(μ3-RC)MCo2(CO)7(M = Mo, W; R = Me, Ph), and (μ-η1:η5-Ph2PC5H4)CpMo2(CO)5Obtained from the Studied Isolobal Displacement Reactions
Authors of publication	Song, Li-Cheng; Yu, Guang-Ao; Liu, Yang; Yin, Bang-Shao; Zhang, Xiao-Guang; Hu, Qing-Mei
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	8
Pages of publication	1966
a	10.457 ± 0.003 Å
b	14.716 ± 0.004 Å
c	17.43 ± 0.004 Å
α	90°
β	101.293 ± 0.004°
γ	90°
Cell volume	2630.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
178619 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30.	4073027.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 {}'	4073027.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073027.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073027.cif
46125	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073027 via cif-deposit CGI script.	4073027.cif