Crystallography Open Database

Information card for entry 7101436

Preview

Coordinates	7101436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H82 N8 O4 Zn5
Calculated formula	C34 H82 N8 O4 Zn5
SMILES	C(C)[Zn]12[N](CC)(CC)[O]3[Zn]45[NH]6[N]7(CCCCC7)[Zn]3(CC)[O](N(CC)CC)[Zn]6(CC)[N](CC)(CC)[O]4[Zn](CC)([N]3(CCCCC3)[NH]25)[O]1N(CC)CC
Title of publication	First mixed hydrazide/hydroxylamide metal aggregates - fine tuning the N:O content of zinc compounds
Authors of publication	Norbert Mitzel; Raphael J. F. Berger; Roland Frohlich; Surajit Jana
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	38
a	11.369 ± 0.002 Å
b	15.909 ± 0.003 Å
c	25.86 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4677.3 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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