Crystallography Open Database

Information card for entry 7705311

Preview

Coordinates	7705311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H51 N8 O7 Yb
Calculated formula	C39 H51 N8 O7 Yb
Title of publication	Lanthanide cryptate monometallic coordination complexes.
Authors of publication	Buch, Christian D.; Mitcov, Dmitri; Piligkos, Stergios
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	39
Pages of publication	13557 - 13565
a	13.2414 ± 0.0013 Å
b	22.0413 ± 0.0019 Å
c	27.359 ± 0.003 Å
α	90°
β	90.219 ± 0.004°
γ	90°
Cell volume	7984.9 ± 1.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
258832 (current)	2020-11-06	cif/ Updating files of 7705311 Original log message: Adding full bibliography for 7705311.cif.	7705311.cif
255729	2020-08-29	cif/ Adding structures of 7705311 via cif-deposit CGI script.	7705311.cif