Crystallography Open Database

Information card for entry 7700031

Preview

Coordinates	7700031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H57 Nd
Calculated formula	C39 H57 Nd
Title of publication	Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.
Authors of publication	Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	23
Pages of publication	8297 - 8302
a	9.9037 ± 0.0004 Å
b	12.3136 ± 0.0007 Å
c	27.6207 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3368.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
224431 (current)	2019-11-08	cif/ Updating files of 7700030, 7700031, 7700032, 7700033 Original log message: Adding full bibliography for 7700030--7700033.cif.	7700031.cif
215338	2019-05-21	cif/ Adding structures of 7700030, 7700031, 7700032, 7700033 via cif-deposit CGI script.	7700031.cif