Crystallography Open Database

Information card for entry 7045977

Preview

Coordinates	7045977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H92 Ce4 N24
Calculated formula	C67 H92 Ce4 N24
Title of publication	Unique and contrasting structures of homoleptic lanthanum(iii) and cerium(iii) 3,5-dimethylpyrazolates.
Authors of publication	Werner, Daniel; Bayer, Uwe; Rad, Nazli E.; Junk, Peter C.; Deacon, Glen B.; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	17
Pages of publication	5952 - 5955
a	14.583 ± 0.004 Å
b	15.851 ± 0.004 Å
c	16.822 ± 0.004 Å
α	103.244 ± 0.004°
β	91.321 ± 0.007°
γ	90.869 ± 0.005°
Cell volume	3783.2 ± 1.7 Å³
Cell temperature	100.01 K
Ambient diffraction temperature	100.01 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	0.1149
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229554 (current)	2019-11-17	cif/ Updating files of 7045977, 7045978, 7045979, 7045980 Original log message: Adding full bibliography for 7045977--7045980.cif.	7045977.cif
207275	2018-04-10	cif/ Adding structures of 7045977, 7045978, 7045979, 7045980 via cif-deposit CGI script.	7045977.cif