Crystallography Open Database

Information card for entry 4339769

Preview

Coordinates	4339769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 N9 O11 Pr
Calculated formula	C26 H42 N9 O11 Pr
Title of publication	Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.
Authors of publication	Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7923 - 7934
a	14.408 ± 0.003 Å
b	15.04 ± 0.003 Å
c	15.586 ± 0.003 Å
α	90°
β	105.15 ± 0.03°
γ	90°
Cell volume	3260 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0347
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0468
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179500 (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 4/33/97.	4339769.cif
117531	2014-06-15	cif/ Adding structures of 4339769, 4339770, 4339771, 4339772, 4339773, 4339774 via cif-deposit CGI script.	4339769.cif