Crystallography Open Database

Information card for entry 4336686

Preview

Coordinates	4336686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.6 H82.2 Cl4 N6 O10 Y3
Calculated formula	C48.63 H79.52 Cl4 N6 O10 Y3
Title of publication	Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks
Authors of publication	Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12893 - 12903
a	14.036 ± 0.007 Å
b	14.916 ± 0.005 Å
c	14.725 ± 0.008 Å
α	90°
β	108.75 ± 0.05°
γ	90°
Cell volume	2919 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336686.cif
102702	2014-02-22	cif/ Adding structures of 4336686 via cif-deposit CGI script.	4336686.cif