Crystallography Open Database

Information card for entry 2243507

Preview

Coordinates	2243507.cif
Structure factors	2243507.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1-)}di-μ-chlorido-tetrachloridotetrazinc(II)
Formula	C26 H26 Cl6 N12 O4 Zn4
Calculated formula	C26 H26 Cl6 N12 O4 Zn4
SMILES	c1cc2C=[N]3NC4N([N]5=Cc6[n]([Zn]5([O]=4)(Cl)Cl)cccc6)[Zn]43([n]2cc1)([OH2])[Cl][Zn]12([n]3ccccc3C=[N]1NC1N2[N]2=Cc3[n](cccc3)[Zn]2([O]=1)(Cl)Cl)([OH2])[Cl]4
Title of publication	Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1‒)}di-μ-chlorido-tetrachloridotetrazinc(II)
Authors of publication	Seck, Thierno Moussa; Gaye, Papa Aly; Ndoye, Cheikh; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	8
Pages of publication	1349 - 1352
a	9.2002 ± 0.0004 Å
b	9.4306 ± 0.0004 Å
c	11.7651 ± 0.0004 Å
α	94.639 ± 0.003°
β	110.091 ± 0.004°
γ	97.599 ± 0.003°
Cell volume	941.46 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
254581 (current)	2020-07-25	cif/ hkl/ Adding structures of 2243507 via cif-deposit CGI script.	2243507.cif 2243507.hkl