Crystallography Open Database

Information card for entry 7038705

Preview

Coordinates	7038705.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-Gd
Chemical name	[(C5Me4H)2(THF)Gd]2(μ-η2:η2-N2)
Formula	C58 H84 Gd2 N2 O2
Calculated formula	C58 H82 Gd2 N2 O2
Title of publication	Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.
Authors of publication	Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	37
Pages of publication	14634 - 14644
a	15.2453 ± 0.0007 Å
b	13.9938 ± 0.0006 Å
c	25.6281 ± 0.0011 Å
α	90°
β	104.773 ± 0.0004°
γ	90°
Cell volume	5286.7 ± 0.4 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 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	0.0229
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0449
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
187134 (current)	2016-10-08	cif/ Updating files of 7038699, 7038700, 7038701, 7038702, 7038703, 7038704, 7038705, 7038706, 7038707, 7038708 Original log message: Adding full bibliography for 7038699--7038708.cif.	7038705.cif
177621	2016-03-05	cif/ Adding structures of 7038699, 7038700, 7038701, 7038702, 7038703, 7038704, 7038705, 7038706, 7038707, 7038708 via cif-deposit CGI script.	7038705.cif