Crystallography Open Database

Information card for entry 4085399

Preview

Coordinates	4085399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H54 B10 N3 O Si2 Y
Calculated formula	C31 H54 B10 N3 O Si2 Y
Title of publication	Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2
Authors of publication	Yang, Jingying; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2494
a	11.2112 ± 0.0006 Å
b	20.2644 ± 0.0012 Å
c	18.7389 ± 0.0011 Å
α	90°
β	90.88 ± 0.001°
γ	90°
Cell volume	4256.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178742 (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 4/08/53.	4085399.cif
140234	2015-07-05	cif/ Updating files of 4085399, 4085400, 4085401, 4085402, 4085403 Original log message: Adding full bibliography for 4085399--4085403.cif.	4085399.cif
130852	2015-02-04	cif/ Adding structures of 4085399, 4085400, 4085401, 4085402, 4085403 via cif-deposit CGI script.	4085399.cif