Crystallography Open Database

Information card for entry 7036069

Preview

Coordinates	7036069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 N8 Zn2
Calculated formula	C30 H34 N8 Zn2
SMILES	c1(ccccc1)N1N=[N]2[N]([Zn]1(C)[N]#CC)=NN(c1ccccc1)[Zn]2(C)[N]#CC.c1ccccc1.c1ccccc1
Title of publication	(Me)L2Zn2(μ-1,6-Ph2-N6) - a building block for new hexazene complexes.
Authors of publication	Gondzik, S.; Wölper, C; Haack, R.; Jansen, G.; Schulz, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	35
Pages of publication	15703 - 15711
a	10.0346 ± 0.0005 Å
b	16.9894 ± 0.0008 Å
c	10.1868 ± 0.0005 Å
α	90°
β	117.059 ± 0.002°
γ	90°
Cell volume	1546.57 ± 0.13 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0492
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
161279 (current)	2015-10-09	cif/ Updating files of 7036068, 7036069 Original log message: Adding full bibliography for 7036068--7036069.cif.	7036069.cif
152950	2015-08-06	cif/ Adding structures of 7036068, 7036069 via cif-deposit CGI script.	7036069.cif