Crystallography Open Database

Information card for entry 7129330

Preview

Coordinates	7129330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H74 N4 O3 Zn2
Calculated formula	C49 H74 N4 O3 Zn2
SMILES	[Zn]12([O]=C3[O]1[Zn](N(C(=O)C1(C(=C(C(=C1C)C)C)C)C)C(C)(C)C)N3C(C)(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes
Authors of publication	Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan
Journal of publication	Chemical Communications
Year of publication	2021
a	19.4204 ± 0.0017 Å
b	10.707 ± 0.0009 Å
c	22.939 ± 0.002 Å
α	90°
β	93.2035 ± 0.0019°
γ	90°
Cell volume	4762.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270916 (current)	2021-11-30	cif/ Adding structures of 7129323, 7129324, 7129325, 7129326, 7129327, 7129328, 7129329, 7129330 via cif-deposit CGI script.	7129330.cif