Crystallography Open Database

Information card for entry 4338553

Preview

Coordinates	4338553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C173 H150 F24 Lu2 N36 O27 S8 Zn
Calculated formula	C170 H150 F15 Lu2 N36 O18 S5 Zn
Title of publication	Self-Assembly of the First Discrete 3d‒4f‒4f Triple-Stranded Helicate
Authors of publication	Riis-Johannessen, Thomas; Bernardinelli, Gérald; Filinchuk, Yaroslav; Clifford, Sarah; Dalla Favera, Natalia; Piguet, Claude
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5512 - 5525
a	15.8708 ± 0.0008 Å
b	16.0222 ± 0.0005 Å
c	47.308 ± 0.002 Å
α	90.679 ± 0.004°
β	93.321 ± 0.004°
γ	117.501 ± 0.004°
Cell volume	10642.4 ± 0.9 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1779
Residual factor for significantly intense reflections	0.1517
Weighted residual factors for significantly intense reflections	0.4149
Weighted residual factors for all reflections included in the refinement	0.4495
Goodness-of-fit parameter for all reflections included in the refinement	1.721
Diffraction radiation wavelength	0.72242 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210077 (current)	2018-08-23	cif/4/ Updating bibliography in entries 4302403, 4338553. Marking entry 4302403 as a duplicate of entry 4338553.	4338553.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4338553.cif
114744	2014-05-29	cif/ Adding structures of 4338553 via cif-deposit CGI script.	4338553.cif