Crystallography Open Database

Information card for entry 1566117

Preview

Coordinates	1566117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H58 N4 O4 Zn3
Calculated formula	C50 H58 N4 O4 Zn3
SMILES	c12ccccc1[C@@H](CC)[N]13[Zn]4567[N]82c2ccccc2[O](C)[Zn]248(CC)[N]5([C@@H](c4c(cccc4)[N]46c5ccccc5[O](C)[Zn]374([O](c3ccccc13)C)CC)CC)c1c([O]2C)cccc1.c12ccccc1[C@H](CC)[N]13[Zn]4567[N]82c2ccccc2[O](C)[Zn]248(CC)[N]5([C@H](c4c(cccc4)[N]46c5ccccc5[O](C)[Zn]374([O](c3ccccc13)C)CC)CC)c1c([O]2C)cccc1
Title of publication	A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability
Authors of publication	Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan
Journal of publication	Comptes Rendus Chimie
Year of publication	2014
Journal volume	17
Journal issue	4
Pages of publication	377 - 385
a	17.954 ± 0.004 Å
b	13.364 ± 0.003 Å
c	19.999 ± 0.004 Å
α	90°
β	108.54 ± 0.03°
γ	90°
Cell volume	4549.5 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1606
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2421
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
272219 (current)	2022-01-25	cif/ Adding structures of 1566115, 1566116, 1566117 via cif-deposit CGI script.	1566117.cif