Crystallography Open Database

Information card for entry 4336692

Preview

Coordinates	4336692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H206 N20 Nd6 O46
Calculated formula	C116 H198 N20 Nd6 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	16.754 ± 0.004 Å
b	21.039 ± 0.004 Å
c	22.024 ± 0.004 Å
α	90°
β	109.66 ± 0.03°
γ	90°
Cell volume	7311 ± 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	0.0583
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4336692.cif
102708	2014-02-22	cif/ Adding structures of 4336692 via cif-deposit CGI script.	4336692.cif