Crystallography Open Database

Information card for entry 4336557

Preview

Coordinates	4336557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40.6 N9 O10.3 Tb
Calculated formula	C26 H40 N9 O10.31 Tb
Title of publication	Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes
Authors of publication	Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12450 - 12460
a	20.453 ± 0.005 Å
b	15.18 ± 0.003 Å
c	11.963 ± 0.004 Å
α	90°
β	117.12 ± 0.03°
γ	90°
Cell volume	3305.9 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0302
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179468 (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 4/33/65.	4336557.cif
102561	2014-02-21	cif/ Adding structures of 4336557 via cif-deposit CGI script.	4336557.cif