Crystallography Open Database

Information card for entry 4080114

Preview

Coordinates	4080114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H84 N4 Yb2
Calculated formula	C74 H84 N4 Yb2
Title of publication	Thermal Dihydrogen Elimination from Cp*2Yb(4,5-diazafluorene)
Authors of publication	Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1150 - 1158
a	21.33 ± 0.004 Å
b	25.817 ± 0.004 Å
c	14.995 ± 0.002 Å
α	90°
β	132.711 ± 0.002°
γ	90°
Cell volume	6067.4 ± 1.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
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	0.0461
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080114.cif
76868	2013-03-21	cif/ Adding structures of 4080113, 4080114 via cif-deposit CGI script.	4080114.cif