Crystallography Open Database

Information card for entry 7055006

Preview

Coordinates	7055006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 Ce2 O21
Calculated formula	C54 H60 Ce2 O21
Title of publication	Rare earth 3-(4′-hydroxyphenyl)propionate complexes
Authors of publication	Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7688
a	14.202 ± 0.0011 Å
b	15.9564 ± 0.0014 Å
c	16.102 ± 0.0011 Å
α	116.872 ± 0.005°
β	93.433 ± 0.005°
γ	92.854 ± 0.005°
Cell volume	3236.9 ± 0.5 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1022
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
162018 (current)	2015-10-09	cif/ Updating files of 7055006, 7055007, 7055008, 7055009, 7055010, 7055011 Original log message: Adding full bibliography for 7055006--7055011.cif.	7055006.cif
152460	2015-07-23	cif/ Adding structures of 7055006, 7055007, 7055008, 7055009, 7055010, 7055011 via cif-deposit CGI script.	7055006.cif