Crystallography Open Database

Information card for entry 7241339

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Coordinates	7241339.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ZnCl2N4C63H54
Formula	C63 H54 Cl2 N4 Zn
Calculated formula	C63 H54 Cl2 N4 Zn
SMILES	[Zn]1(Cl)(Cl)[n]2c(ccc2C(c2ccccc2)(C)c2[n]1c(cc2)=CNC(c1ccccc1)(c1ccccc1)c1ccccc1)=CNC(c1ccccc1)(c1ccccc1)c1ccccc1.c1c(C)cccc1
Title of publication	New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines
Authors of publication	Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	60
Pages of publication	36275 - 36286
a	11.8769 ± 0.0003 Å
b	13.4192 ± 0.0004 Å
c	17.2498 ± 0.0004 Å
α	85.646 ± 0.002°
β	89.156 ± 0.002°
γ	73.944 ± 0.003°
Cell volume	2634.32 ± 0.13 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.0445
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256919 (current)	2020-10-02	cif/ Adding structures of 7241337, 7241338, 7241339 via cif-deposit CGI script.	7241339.cif