Crystallography Open Database

Information card for entry 4327701

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Coordinates	4327701.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(Me4taa)Zr(mu-N-2,6-C6H3Me2)2Zr(NH-2,6-C6H3Me2)2] . (C7H8)
Formula	C61 H68 N8 Zr2
Calculated formula	C61 H68 N8 Zr2
Title of publication	Mononuclear Amido and Binuclear Imido Zirconium Complexes Supported by Dibenzotetraaza[14]annulene Ligands. X-ray Structure of [(Me4taa)Zr(μ-NR)2Zr(NHR)2] (R = Butor 2,6-C6H3Me2)
Authors of publication	Georgii I. Nikonov; Alexander J. Blake; Philip Mountford
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	1107 - 1112
a	25.353 ± 0.011 Å
b	15.394 ± 0.004 Å
c	16.423 ± 0.004 Å
α	90°
β	123.75 ± 0.02°
γ	90°
Cell volume	5329 ± 3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0475
Goodness-of-fit parameter for significantly intense reflections	3.3226
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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