Crystallography Open Database

Information card for entry 4060935

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Coordinates	4060935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H42 B F20 N3 Zr
Calculated formula	C47 H42 B F20 N3 Zr
Title of publication	Chemoselective Deprotonations of a Cationic Zirconium Primary Amido Complex to Either a Neutral Zirconium Terminal Imido or a Noninterconverting Tautomer
Authors of publication	Kissounko, Denis A.; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	5
Pages of publication	1076 - 1078
a	12.3139 ± 0.0004 Å
b	14.1247 ± 0.0004 Å
c	14.3103 ± 0.0005 Å
α	91.777 ± 0.001°
β	104.175 ± 0.001°
γ	96.606 ± 0.001°
Cell volume	2392.66 ± 0.13 Å³
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for all reflections	0.1165
Weighted residual factors for significantly intense reflections	0.1082
Residual factor R(I) for significantly intense reflections	0.0275
Goodness-of-fit parameter for all reflections	1.045
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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