Crystallography Open Database

Information card for entry 4335450

Preview

Coordinates	4335450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 B4 Co2 Mo2 O5 S
Calculated formula	C25 H34 B4 Co2 Mo2 O5 S
SMILES	[Mo]123456789%10([Co]%11%12%13([Mo]%14%15%16%17%18%19%20%21([Co]%221%11([BH]1%15[BH]3%16([BH]4%17[S]2%12%14)[BH]5%221)([C]6%13=O)(C#[O])C#[O])[c]1([c]%21([c]%20([c]%19([c]%181C)C)C)C)C)(C#[O])C#[O])[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C
Title of publication	Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements
Authors of publication	Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7923 - 7932
a	9.1308 ± 0.0003 Å
b	17.1982 ± 0.0005 Å
c	19.1194 ± 0.0007 Å
α	90°
β	97.254 ± 0.003°
γ	90°
Cell volume	2978.35 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335450.cif
101379	2014-02-13	cif/ Adding structures of 4335450 via cif-deposit CGI script.	4335450.cif