Crystallography Open Database

Information card for entry 4336689

Preview

Coordinates	4336689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113.6 H198.8 N20 O44.8 Sm6
Calculated formula	C113.52 H188.08 N20 O44.66 Sm6
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	16.546 ± 0.004 Å
b	20.898 ± 0.004 Å
c	22.017 ± 0.004 Å
α	90°
β	109.29 ± 0.03°
γ	90°
Cell volume	7186 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4336689.cif
102705	2014-02-22	cif/ Adding structures of 4336689 via cif-deposit CGI script.	4336689.cif