Crystallography Open Database

Information card for entry 4336556

Preview

Coordinates	4336556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 N9 O11 Sm
Calculated formula	C26 H42 N9 O11 Sm
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	14.358 ± 0.005 Å
b	15.289 ± 0.005 Å
c	15.568 ± 0.004 Å
α	90°
β	105.24 ± 0.03°
γ	90°
Cell volume	3297.3 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4336556.cif
102560	2014-02-21	cif/ Adding structures of 4336556 via cif-deposit CGI script.	4336556.cif