Crystallography Open Database

Information card for entry 1100828

Preview

Coordinates	1100828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Zr
Calculated formula	C14 H14 Zr
Title of publication	Reaction of 1-Zirconacyclopent-3-yne with "Zirconocene": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes
Authors of publication	Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	9
Pages of publication	2065 - 2069
a	12.115 ± 0.0004 Å
b	9.2921 ± 0.0003 Å
c	9.9839 ± 0.0002 Å
α	90°
β	91.525 ± 0.002°
γ	90°
Cell volume	1123.52 ± 0.05 Å³
Cell temperature	113.2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	4060460
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1100828.html