Crystallography Open Database

Information card for entry 4322201

Preview

Coordinates	4322201.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	98061
Formula	C70.5 H69 N5 Zr
Calculated formula	C70.5 H69 N5 Zr
Title of publication	Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins
Authors of publication	Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3814 - 3824
a	16.6358 ± 0.0002 Å
b	18.7583 ± 0.0001 Å
c	19.4375 ± 0.0002 Å
α	90°
β	103.97 ± 0.001°
γ	90°
Cell volume	5886.24 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections	0.1093
Weighted residual factors for significantly intense reflections	0.0984
Goodness-of-fit parameter for all reflections	0.977
Goodness-of-fit parameter for significantly intense reflections	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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