Crystallography Open Database

Information card for entry 4336691

Preview

Coordinates	4336691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H206 Gd6 N20 O46
Calculated formula	C116 H198 Gd6 N20 O46
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	16.84 ± 0.004 Å
b	20.925 ± 0.004 Å
c	21.945 ± 0.004 Å
α	90°
β	109.35 ± 0.03°
γ	90°
Cell volume	7296 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0451
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336691.cif
102707	2014-02-22	cif/ Adding structures of 4336691 via cif-deposit CGI script.	4336691.cif