Crystallography Open Database

Information card for entry 7045641

Preview

Coordinates	7045641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H78 N4 Zn
Calculated formula	C64 H78 N4 Zn
SMILES	[Zn]12([N](=Cc3c1c(ccc3)/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=Cc1c2c(ccc1)/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.
Authors of publication	Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4607 - 4612
a	13.522 ± 0.004 Å
b	14.632 ± 0.004 Å
c	15.856 ± 0.005 Å
α	77.163 ± 0.004°
β	86.79 ± 0.004°
γ	67.573 ± 0.004°
Cell volume	2826 ± 1.4 Å³
Cell temperature	238 ± 2 K
Ambient diffraction temperature	238 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1243
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
229755 (current)	2019-11-17	cif/ Updating files of 7045641, 7045642, 7045643, 7045644 Original log message: Adding full bibliography for 7045641--7045644.cif.	7045641.cif
206466	2018-02-16	cif/ Adding structures of 7045641, 7045642, 7045643, 7045644 via cif-deposit CGI script.	7045641.cif