Crystallography Open Database

Information card for entry 4060214

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Coordinates	4060214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 P Zr2
Calculated formula	C27 H33 P Zr2
Title of publication	Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond
Authors of publication	Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	60 - 61
a	10.5259 ± 0.0002 Å
b	33.0858 ± 0.0004 Å
c	8.2256 ± 0.0001 Å
α	90°
β	105.661 ± 0.0005°
γ	90°
Cell volume	2758.28 ± 0.07 Å³
Cell temperature	200.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.707
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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