Crystallography Open Database

Information card for entry 4067725

Preview

Coordinates	4067725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.77 H44.42 Br3.12 P2 Zn
Calculated formula	C49.768 H44.42 Br3.116 P2 Zn
Title of publication	Isolation and Structures of Two New Organozinc Anions from Solutions Rich in Halide Ions
Authors of publication	MacIntosh, Ian S.; Sherren, Cody N.; Robertson, Katherine N.; Masuda, Jason D.; Pye, Cory C.; Clyburne, Jason A. C.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	9
Pages of publication	2063
a	17.318 ± 0.0004 Å
b	20.922 ± 0.0003 Å
c	24.893 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9019.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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