Crystallography Open Database

Information card for entry 7024300

Preview

Coordinates	7024300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 B F15 N Si2 Zr
Calculated formula	C33 H23 B F15 N Si2 Zr
SMILES	Fc1c([B](c2c(F)c(F)c(F)c(c2F)F)(c2c(F)c(F)c(F)c(F)c2F)[CH3][Zr]23456789%10%11N([Si]([c]%128[cH]5[cH]9[cH]7[cH]6%12)(C)C)[Si]([c]64[cH]3[cH]2[cH]%11[cH]%106)(C)C)c(F)c(F)c(F)c1F
Title of publication	The amido-bridged zirconocene's reactivity and catalytic behavior for ethylene polymerization.
Authors of publication	Wang, Cun; van Meurs, Martin; Stubbs, Ludger P.; Tay, Boon-Ying; Tan, Xiang-Jie; Aitipamula, Srinivasulu; Chacko, Jacob; Luo, He-Kuan; Wong, Pui-Kwan; Ye, Suming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	3
Pages of publication	807 - 814
a	11.245 ± 0.002 Å
b	13.098 ± 0.003 Å
c	13.383 ± 0.003 Å
α	77.57 ± 0.03°
β	67.01 ± 0.03°
γ	74.56 ± 0.03°
Cell volume	1735.3 ± 0.8 Å³
Cell temperature	180.15 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
179948 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43.	7024300.cif
92364	2014-01-12	cif/ Adding structures of 7024300, 7024301, 7024302 via cif-deposit CGI script.	7024300.cif