Crystallography Open Database

Information card for entry 1551565

Preview

Coordinates	1551565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Cl N12 O Zn2
Calculated formula	C19 H21 Cl N12 O Zn2
SMILES	c1[n]2c(c[nH]1)CC[N]1=Cc3c4[O]5[Zn]21([N](=N#N)[Zn]15([n]2c(c[nH]c2)CC[N]1=Cc4cc(C)c3)N=N#N)N=N#N
Title of publication	μ-Phenolato-μ-azido-bridged Dinuclear Zinc(II) Complex with a Schiff-base Having Imidazolyl Groups
Authors of publication	MIKURIYA, Masahiro; SHIBUTANI, Ai; YAMADA, Hitomi; YOSHIOKA, Daisuke
Journal of publication	X-ray Structure Analysis Online
Year of publication	2018
Journal volume	34
Journal issue	0
Pages of publication	33
a	9.2278 ± 0.001 Å
b	26.069 ± 0.003 Å
c	10.0068 ± 0.0011 Å
α	90°
β	93.261 ± 0.002°
γ	90°
Cell volume	2403.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0553
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
216175 (current)	2019-06-20	cif/ Adding structures of 1551565 via cif-deposit CGI script.	1551565.cif