Crystallography Open Database

Information card for entry 4308450

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Coordinates	4308450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H55 N5 Si4 Zr
Calculated formula	C28 H55 N5 Si4 Zr
SMILES	[Zr]12(N([Si](C)(C)C)c3c(N1[Si](C)(C)C)cccc3)(N([Si](C)(C)C)c1ccccc1N2[Si](C)(C)C)[NH](CC)CC
Title of publication	Azide Addition To Give a Tetra-azazirconacycle Complex
Authors of publication	Alan F. Heyduk; Karen J. Blackmore; Nicole A. Ketterer; Joseph W. Ziller
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	468 - 470
a	11.8325 ± 0.0009 Å
b	22.8851 ± 0.0018 Å
c	13.4664 ± 0.0011 Å
α	90°
β	95.812 ± 0.001°
γ	90°
Cell volume	3627.8 ± 0.5 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
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	0.0387
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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