Crystallography Open Database

Information card for entry 1548387

Preview

Coordinates	1548387.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2
Formula	C92 H118 As4 Co3 N16 O24
Calculated formula	C92 H118 As4 Co3 N16 O24
Title of publication	Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.
Authors of publication	Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	5
Pages of publication	1136 - 1143
a	20.6668 ± 0.001 Å
b	20.6668 ± 0.001 Å
c	16.8568 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7199.8 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
228691 (current)	2019-11-17	cif/ Updating files of 1548387, 1548388, 1548389, 1548390 Original log message: Adding full bibliography for 1548387--1548390.cif.	1548387.cif
203958	2017-12-05	cif/ Adding structures of 1548387, 1548388, 1548389, 1548390 via cif-deposit CGI script.	1548387.cif