Crystallography Open Database

Information card for entry 7047759

Preview

Coordinates	7047759.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Sm(CzTiPr)2]2(mu-OH)2
Chemical name	Sm(κ3-CzTiPr)(κ3-μ-CzTiPr)(μ-OH)2Sm(κ3-CzTiPr)(κ2-CzTiPr)
Formula	C115.5 H148 N36 O2 Sm2
Calculated formula	C115.5 H148 N36 O2 Sm2
Title of publication	Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.
Authors of publication	Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15487 - 15496
a	16.49 ± 0.0019 Å
b	19.382 ± 0.002 Å
c	21.328 ± 0.002 Å
α	73.382 ± 0.003°
β	72.642 ± 0.003°
γ	89.771 ± 0.003°
Cell volume	6209.7 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1436
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2425
Weighted residual factors for all reflections included in the refinement	0.2805
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.0332 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229440 (current)	2019-11-17	cif/ Updating files of 7047755, 7047756, 7047757, 7047758, 7047759, 7047760, 7047761, 7047762 Original log message: Adding full bibliography for 7047755--7047762.cif.	7047759.cif
211437	2018-10-13	cif/ Adding structures of 7047755, 7047756, 7047757, 7047758, 7047759, 7047760, 7047761, 7047762 via cif-deposit CGI script.	7047759.cif