Crystallography Open Database

Information card for entry 4070565

Preview

Coordinates	4070565.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C68 H86 O2 Si4 Y2, C7 H8
Formula	C75 H94 O2 Si4 Y2
Calculated formula	C75 H94 O2 Si4 Y2
Title of publication	Yttrium Complexes of a Phenanthrene-Fused Cyclopentadienyl: Synthetic, Structural, and Reactivity Studies
Authors of publication	Sun, Jianlong; Berg, David J.; Twamley, Brendan
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	683
a	10.5591 ± 0.0012 Å
b	24.499 ± 0.003 Å
c	27.461 ± 0.003 Å
α	90°
β	100.724 ± 0.01°
γ	90°
Cell volume	6979.7 ± 1.4 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178594 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070565.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070565.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070565.cif
42561	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070565 via cif-deposit CGI script.	4070565.cif