Crystallography Open Database

Information card for entry 7110583

Preview

Coordinates	7110583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 Cr4 O12 S Sb2
Calculated formula	C32 H20 Cr4 O12 S Sb2
SMILES	[Sb]([Cr]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)([Cr]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)S[Sb]([Cr]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[Cr]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	A facile reaction of Sb2S3 with [CpCr(CO)3]2: formation of a novel tetrachromium complex [CpCr(CO)3]4(Sb2S)
Authors of publication	Goh, Lai Yoong; Chen, Wei; Wong, Richard C. S.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	16
Pages of publication	1481
a	20.181 ± 0.005 Å
b	12.4 ± 0.004 Å
c	15.209 ± 0.008 Å
α	90°
β	106.26 ± 0.03°
γ	90°
Cell volume	3654 ± 2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.2016
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for all reflections	0.1262
Weighted residual factors for significantly intense reflections	0.1011
Goodness-of-fit parameter for all reflections	0.864
Goodness-of-fit parameter for significantly intense reflections	1.191
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
180219 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05.	7110583.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.	7110583.cif
95447	2014-01-28	cif/ Adding structures of 7110583 via cif-deposit CGI script.	7110583.cif